bis2-ethylhexyl-phthalate-CAS-117-81-7-—-Safety-Data-Sheet CAS_NUMBER 117-81-7 (zh_CN)

bis(2-ethylhexyl) phthalate (CAS 117-81-7) — Safety Data Sheet

IARC第2B组 — 可能对人类致癌
CAS: 117-81-7 | IARC来源
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Safety data sheet documentation for bis(2-ethylhexyl) phthalate (CAS 117-81-7), compiled to REACH Annex II with classification read against the harmonised entry in CLP Annex VI (H360FD). Two options: a working draft sent by e-mail immediately, or a signed card issued within 72 hours of complete input. The item supplied is a document — MolGod.org does not sell, supply or ship chemical substances.

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REACH 2020/878
v4 · 08.09.2026
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🧬 3D分子可视化器
正在加载分子...
3D模型Di(2-ethylhexyl) phthalate，CAS 117-81-7，分子式C24H38O4, 摩尔质量 390.6 g/mol

数据转录自法规登记册和专业文献，并注明来源与版本。不能替代供应商的安全数据表。未记录来源的字段已作相应标注。

📊 物理化学数据 — CAS 117-81-7
📊 物理化学性质

快速参考

化学式： C24H38O4
分子量： 390.6 g/mol
CAS号： 117-81-7
外观： 液体
气味： 轻微气味
🔬 高级属性

化学标识符

SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC

最后更新： 2026-08-25

化学概述: Di(2-ethylhexyl) phthalate
分子式C24H38O4[1]
分子量390.6 g/mol[1]
熔点-50 °C
沸点385 °C[2][3]
密度0.99 g/cm³
LogP（亲脂性）7.4[1]
IUPAC名称bis(2-ethylhexyl) benzene-1,2-dicarboxylate[1]
SMILESCCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC[1]
InChIKeyBJQHLKABXJIVAM-UHFFFAOYSA-N[1]

同义词: Bis(2-ethylhexyl) phthalate · 117-81-7 · Di(2-ethylhexyl) phthalate · Di(2-ethylhexyl)phthalate · Etalon

数据来源： PubChem (NLM/NIH)
最后更新： 2026-08-25

📚 科学参考文献（芝加哥作者-日期格式） (3 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · LogP（亲脂性） · IUPAC名称 · SMILES · InChIKey
  2. DECHEMA, PTB, and BAM. CHEMSAFE - Database of Evaluated Safety Characteristics for the Avoidance of Explosions. Frankfurt am Main: DECHEMA e.V.; Braunschweig/Berlin: Physikalisch-Technische Bundesanstalt and Bundesanstalt fur Materialforschung und -prufung. ↗ applies to: 沸点
  3. NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ applies to: 沸点

科学研究

[1]PubMed2026
Di(2-ethylhexyl) phthalate exposure: Association with metabolic associated steatotic liver disease and underlying mechanisms.
Yin D, Li Y, Wu W et al.. (2026). "Di(2-ethylhexyl) phthalate exposure: Association with metabolic associated steatotic liver disease and underlying mechanisms.". Ecotoxicology and environmental safet
查看完整研究 ↗
[2]PubMed2026
Di(2-ethylhexyl) phthalate induces male reproductive toxicity through mitophagy-dependent ferroptosis of spermatocytes in mice.
Zhang Z, Han H, Ding L et al.. (2026). "Di(2-ethylhexyl) phthalate induces male reproductive toxicity through mitophagy-dependent ferroptosis of spermatocytes in mice.". Free radical biology & medicin
查看完整研究 ↗
[3]PubMed2025
Mechanism exploration of di(2-ethylhexyl) phthalate (DEHP)-induced breast cancer via network toxicology and molecular docking analysis.
Wang Z, Wang Y. (2025). "Mechanism exploration of di(2-ethylhexyl) phthalate (DEHP)-induced breast cancer via network toxicology and molecular docking analysis.". Scientific reports. https://doi.org/1
查看完整研究 ↗
[4]PubMed2025
Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology.
Xu L, Shi M, Qin G et al.. (2025). "Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology.". Molecular diversity. https://doi.org/10.1007/
查看完整研究 ↗
[5]PubMed2025
Exploring the link between Di-2-ethylhexyl phthalate (DEHP) exposure and muscle mass: A systematic investigation utilizing NHANES data analysis,…
Hao JQ, Ran B, Hu SY et al.. (2025). "Exploring the link between Di-2-ethylhexyl phthalate (DEHP) exposure and muscle mass: A systematic investigation utilizing NHANES data analysis, network toxicolog
查看完整研究 ↗
[6]PubMed2024
Diethylhexyl phthalate induces immune dysregulation and is an environmental immune disruptor.
Linghu D, Zhu Z, Zhang D et al.. (2024). "Diethylhexyl phthalate induces immune dysregulation and is an environmental immune disruptor.". Journal of hazardous materials. https://doi.org/10.1016/j.jhaz
查看完整研究 ↗
[7]PubMed2024
Exposure to di-2-ethylhexyl phthalate and breast neoplasm incidence: A cohort study.
Tang L, Wang Y, Yan W et al.. (2024). "Exposure to di-2-ethylhexyl phthalate and breast neoplasm incidence: A cohort study.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.
查看完整研究 ↗
[8]CrossRef2023
Bis(2-ethylhexyl) phthalate transfer from polyvinyl chloride sheet to several kinds of particles
Naohide Shinohara. (2023). "Bis(2-ethylhexyl) phthalate transfer from polyvinyl chloride sheet to several kinds of particles". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.139438
查看完整研究 ↗
📚 科学参考文献（芝加哥作者-日期格式） 13 refs · 2 baz

MOLECULE 按CAS号参考文献（实时来自13+数据库）

来源： db:pubmed (7) · db:crossref (6)

  1. db:pubmed Yin D, Li Y, Wu W et al.. (2026). "Di(2-ethylhexyl) phthalate exposure: Association with metabolic associated steatotic liver disease and underlying mechanisms.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2026.120210 →
  2. db:pubmed Zhang Z, Han H, Ding L et al.. (2026). "Di(2-ethylhexyl) phthalate induces male reproductive toxicity through mitophagy-dependent ferroptosis of spermatocytes in mice.". Free radical biology & medicine. https://doi.org/10.1016/j.freeradbiomed.2026.01.014 →
  3. db:pubmed Wang Z, Wang Y. (2025). "Mechanism exploration of di(2-ethylhexyl) phthalate (DEHP)-induced breast cancer via network toxicology and molecular docking analysis.". Scientific reports. https://doi.org/10.1038/s41598-025-13201-1 →
  4. db:pubmed Xu L, Shi M, Qin G et al.. (2025). "Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology.". Molecular diversity. https://doi.org/10.1007/s11030-024-10976-9 →
  5. db:pubmed Hao JQ, Ran B, Hu SY et al.. (2025). "Exploring the link between Di-2-ethylhexyl phthalate (DEHP) exposure and muscle mass: A systematic investigation utilizing NHANES data analysis, network toxicology and molecular docking approaches.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2025.118132 →
  6. db:pubmed Linghu D, Zhu Z, Zhang D et al.. (2024). "Diethylhexyl phthalate induces immune dysregulation and is an environmental immune disruptor.". Journal of hazardous materials. https://doi.org/10.1016/j.jhazmat.2024.136244 →
  7. db:pubmed Tang L, Wang Y, Yan W et al.. (2024). "Exposure to di-2-ethylhexyl phthalate and breast neoplasm incidence: A cohort study.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2024.171819 →
  8. db:crossref Naohide Shinohara. (2023). "Bis(2-ethylhexyl) phthalate transfer from polyvinyl chloride sheet to several kinds of particles". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.139438 →
  9. db:crossref Yang Ling Kee, Sumona Mukherjee, Agamuthu Pariatamby. (2015). "Effective remediation of phenol,2,4-bis(1,1-dimethylethyl) and bis(2-ethylhexyl) phthalate in farm effluent using Guar gum – A plant based biopolymer". Chemosphere. https://doi.org/10.1016/j.chemosphere.2015.04.074 →
  10. db:crossref (2014). "Bis(2-ethylhexyl)phthalate (DEHP)". Food Safety. https://doi.org/10.14252/foodsafetyfscj.2014008e →
  11. db:crossref (2014). "Erratum: Bis(2-ethylhexyl)phthalate (DEHP)". Food Safety. https://doi.org/10.14252/foodsafetyfscj.2014.008e1 →
  12. db:crossref Lesa L. Aylward, Sean M. Hays, Michelle Gagné et al.. (2009). "Derivation of Biomonitoring Equivalents for di(2-ethylhexyl)phthalate (CAS No. 117-81-7)". Regulatory Toxicology and Pharmacology. https://doi.org/10.1016/j.yrtph.2009.09.001 →
  13. db:crossref Kenneth R. Harris. (2009). "Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je900284z →
物质监管状态
清单： EU / REACH Annex XIV, EU/SVHC, UK / SVHC, CA / DSL (toxic), AU/AICS. 监管信息——不限制在本店购买。
🧮 化学计量计算器
🧪 化学数据
CAS号
117-81-7
分子式
C24H38O4
摩尔质量
390.6 g/mol
IUPAC名称 (EN)
bis(2-ethylhexyl) benzene-1,2-dicarboxylate
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChIKey
BJQHLKABXJIVAM-UHFFFAOYSA-N
📚 Related literature (20 篇文章)

Matched automatically from public bibliographic databases by text similarity. Not curated for this substance, and not part of the safety data sheet.

Lesa L. Aylward, Sean M. Hays, Michelle Gagné et al. · (2009) · Regulatory Toxicology and Pharmacology
TLDR This study reviews available health-based exposure guidance values for di(2-ethylhexyl)phthalate (DEHP) from Health Canada, the United States Environmental Protection Agency (U.S. EPA), the Agency for Toxic Substances and Disease Registry (ATSDR), th…
(1982) · National Toxicology Program technical report series
TLDR Di(2-ethylhexyl)phthalate was carcinogenic for F344 rats and B6C3F1 mice, causing increased incidences of female rats and male and female mice with hepatocellular carcinomas, and inducing an increased incidence of male rats with either hepato cell ca…
Sakaoduoen Bunsangiam, Chatsuda Sakdapetsiri, C. Charoenpong et al. · (2025) · Journal of Hazardous Materials
TLDR The first evidence of Ancylobacter sp.
O. Aerts, M. Mertens, Dina Oulkadi et al. · (2022) · Contact Dermatitis
TLDR This is the first case of contact urticaria to DEP, and to a phthalate in other than plastic material, to be reported to the knowledge.
Robert W. Moore, Thomas A. Rudy, T. M. Lin et al. · (2001) · Environmental Health Perspectives
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📡 Data sources

The data in this widget comes from the following verified scientific sources:

  • PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
  • ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
  • NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical properties
Temp. wrzenia
384.1
Density
0.984

Source: PubChem, NIST WebBook. Last updated: 2026-08-25

🔍 外部标识符
14 / 16个ID系统88%
数据库标识符操作
CAS Registry Number117-81-7打开 →
PubChem CID8343[1]打开 →
InChIKeyBJQHLKABXJIVAM-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)2…[1]
SMILESCCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC[1]
EC Number204-211-0[2]打开 →
ChEMBLCHEMBL1242017[3]打开 →
KEGG CompoundC03690打开 →
HMDBHMDB0249243打开 →
ChemSpider21106505[4]打开 →
MeSH UID (NLM)D004051打开 →
UNII (FDA)C42K0PH13C打开 →
NSC Number (NCI)17069打开 →
WikiData QIDQ418492打开 →

来源：PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献（芝加哥作者-日期格式） (4 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider

Further reading

Publications thematically related to this CAS. They are not the source of any value shown on this card.

扩展参考文献 (4)

  1. ★★★★☆ OPENLIBRARY 🔓 开放 GDH - Advisory Committee on Existing Chemicals of Environmental Relevance. 1992. "DI-(2-Ethylhexyl)Phthalate (BUA Report)." Wiley-VCH. 链接 [访问日期: 2026-10-08] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. "Di(2-ethylhexyl)phthalate.". https://doi.org/10.31003/uspnf_r1903_01_01. 链接 [访问日期: 2026-08-25]
  3. ★☆☆☆☆ OPENLIBRARY 🔓 开放 United States. Agency for Toxic Substances and Disease Registry. 2002. "Toxicological profile for di(2-ethylhexyl)phthalate." U.S. Department of Health and Human Services, Public Health Service, Agency for Toxic Substances and Disease Registry. 链接 [访问日期: 2026-10-08] CC0 (metadata)
  4. ★☆☆☆☆ OPENLIBRARY 🔓 开放 Syracuse Research Corporation, United States. Agency for Toxic Substances and Disease Registry, United States. Environmental Protection Agency.. 2000. "Toxicological profile for di(2-ethylhexyl)phthalate." the Dept., Public Health Service, the Agency. 链接 [访问日期: 2026-10-08] CC0 (metadata)
📡 光谱学 — CAS 117-81-7
📊 光谱（NMR、IR、MS、UV-Vis） (1)

可用光谱类型： IR

红外光谱 (KBr, 4000-400 cm⁻¹)

413个数据点 · 来源： NIST WebBook · NIST ↗ · 📥 JCAMP-DX
🎓 谱图解析指南（供学生使用）
如何解读IR光谱
  • 3200-3600 cm⁻¹ — O-H 伸缩 (宽峰 = 氢键)
  • 2850-3000 cm⁻¹ — C-H 伸缩 (sp³)
  • 1650-1750 cm⁻¹ — C=O 伸缩 (酮、醛、酯)
  • 1400-1600 cm⁻¹ — 芳香环振动
  • 1000-1300 cm⁻¹ — C-O 伸缩 (醚、醇)
  • 无吸收=无官能团→与参考谱图比较

来源： LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 科学参考文献（芝加哥作者-日期格式） (7 来源)
  1. National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
  2. Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
  3. Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
  4. Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
  5. Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
  6. McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
  7. PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
结构性质

正在加载结构数据...

❓ 常见问题 (3)
What is Di(2-ethylhexyl) phthalate?
Di(2-ethylhexyl) phthalate (CAS 117-81-7) is a chemical compound with the molecular formula C24H38O4 and a molecular weight of 390.6 g/mol.
有帮助吗？
What is the CAS number of Di(2-ethylhexyl) phthalate?
The CAS number for Di(2-ethylhexyl) phthalate is 117-81-7.
有帮助吗？
What is the chemical formula of Di(2-ethylhexyl) phthalate?
The molecular formula of Di(2-ethylhexyl) phthalate is C24H38O4.
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➕ 建议问题
下载结构文件

来自PubChem数据库（NIH）的分子结构文件。兼容Avogadro、PyMOL、Jmol和ChemDraw等程序。

来源：PubChem，美国国家医学图书馆（NIH）。 CID: 8343

🔄 浓度单位转换器 实时

输入Di(2-ethylhexyl) phthalate浓度（任意单位），其余将自动计算。

分子量： 390.6 g/mol · IUPAC Gold Book ↗

⚗️ 转换公式及引用（每个公式）
转换分子式准确度来源
% (w/v) ↔ molarityc (mol/L) = (% × 10) / MW±0.5% rel. when density ≈ 1.0 g/mLIUPAC (2019)
millimolar ↔ molarc (mol/L) = mM × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)c = n/V = (m/MW)/V±0.1% (depends on MW precision)IUPAC (2019)
parts per million (mg/L) ↔ molarityc (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous±1% (density-independent for dilute solutions)IUPAC (2019)
mg/mL ↔ molarityc (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1±0.2%Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarityc (mol/L) = (g/L) / MW±0.1% (depends on MW precision)Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarityc (mol/L) = mmol/L × 10⁻³ExactCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ KelvinT(K) = t(°C) + 273.15±0.01 K (ITS-90 scale)BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ FahrenheitT(°F) = T(°C) × 9/5 + 32±0.1 °FThompson A, Taylor BN (2008)
density-corrected % ↔ molarityc (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL±0.1% when ρ known to 3 decimalsCohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 参考文献（8个权威来源）
  1. Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
    → Primary SI standard for US scientific usage
  2. Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
    → Canonical IUPAC guide for chemistry quantities/units
  3. BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
    → International SI definitions (incl. redefined kilogram 2019)
  4. ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
    → General rules for physical quantities and units
  5. ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
    → Concentration / molality / amount-of-substance conventions
  6. Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
    → Avogadro, gas constant, molar volume (2019 SI revision)
  7. IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
    → Definitions of mass fraction, molality, normality, ppm, activity
  8. Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
    → Historical predecessor of IUPAC Green Book
相似分子结构

正在加载相似结构...

🧪 溶液制备向导 WIZARD
① 选择浓度
② 目标体积
③ 溶剂

计算依据： IUPAC Gold Book ↗, Merck ↗

计算化学

正在加载计算数据...

🛡️ 安全 — CAS 117-81-7
数据限制说明。 本页安全信息仅供参考，不能替代完整的安全数据表（SDS）。使用产品前，请查阅制造商当前的安全数据表以及GHS/CLP指南。CLP分类适用于纯散装物质，不适用于商业制剂。

GHS/CLP分类——(EC) No 1272/2008法规 + UN GHS Rev. 9 (2021)。

⚠️ 危险 (Danger)
GHS08 — 健康危害
GHS08 健康危害

🚨 危险说明（H）

  • H360FD — May damage fertility. May damage the unborn child

🛡 防范说明（P）

  • P203 — 使用前取得、阅读并遵循所有安全说明书。

✓ 根据CLP法规(EC) 1272/2008附件VI的统一分类（官方、具有约束力的分类）。 索引号：607-317-00-9。

参考文献（芝加哥格式）： European Chemicals Agency. "bis(2-ethylhexyl) phthalate; di-(2-ethylhexyl) phthalate; DEHP, Index No. 607-317-00-9." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

⚠ IARC — 组 2B: 可能对人类致癌. (IARC/WHO对致癌性证据的独立评估 — 补充上述CLP分类。)
参考文献（芝加哥格式）： IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 117-81-7. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.
来自本地MOL-GOD列表（快照）的分类 — 未与当前IARC列表核实。 验证

翻译：CLP 法规 (EC) 1272/2008，附件 III 和 IV。数据：PubChem/NLM。

📚 综合科学参考文献 — Chicago Author-Date 10 来源

从所有Safety Hub选项卡收集的参考文献。CAS号： 117-81-7 · PubChem ↗

  1. Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS，法规
  2. United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
  3. Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. 急救、毒理学
  4. National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] 急救、个人防护装备、毒理学
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] 个人防护装备
  6. UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] 处置、法规
  7. National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] 储存
  8. Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] 储存
  9. Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. 国家规定——波兰 [↗] 废物处置
  10. International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] 毒理学

具有自身参考文献的选项卡（紧急情况、个人防护装备、储存、废物）在其各自章节中包含额外的书目条目。

📈 分析统计（t检验·RSD·Grubbs·Q-Dixon） ICH Q2

粘贴一系列重复测量结果（CSV或每行一个数字）。计算器将计算平均值、标准差和95%置信区间，并检测异常值（Grubbs + Dixon Q）。

分隔符：逗号、空格、制表符、换行。至少3个测量值。
📐 统计公式
  • x̄ = Σxᵢ / n — 算术平均值
  • s² = Σ(xᵢ - x̄)² / (n-1) — 样本方差
  • s = √s² — 标准差
  • RSD% = (s / x̄) × 100% — 相对标准差
  • CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
  • G = |xᵢ - x̄| / s — Grubbs检验
  • Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

来源：ICH Q2(R2) 分析方法验证 · ICH PDF ↗

🧪 缓冲液配方计算器 唯一
参考文献： pKa值来自 Goldberg NIST 81 · CRC Handbook 100th ed. · Stoll & Blanchard 1990 (DOI)

从 20 种常用缓冲体系列表中选择 → 输入目标 pH → 获得精确配方，包括称量质量。

步骤 1：选择缓冲体系

📜 配方历史记录（最近 10 条）
药物状态

Prekliniczny

I期
II期
III期
已批准

临床前——无人体研究数据。

ChEMBL CHEMBL1242017 ↗

📅 项目规划器——实验室实验管理器 新品

规划您的整个实验室项目：添加实验（含试剂、重复次数和持续时间）。您将获得甘特图、购物清单（含商店链接！）、预算（含10%余量）和GHS风险矩阵。

🧪 溶解性和溶剂兼容性
分子
Di(2-ethylhexyl) phthalate
分子式
C24H38O4
logP (XLogP3)
7.40
摩尔质量（g/mol）
390.6
极性
疏水性（非极性）

⚠️ GC估算（Hoftyzer-Van Krevelen）。该CAS无文献HSP数据——精度±2 MPa½。请实验验证。

Ra < R₀ = 混溶性良好 · Ra < 1,5×R₀ = 临界 · 以上 = 较差（R₀ — 该分子 Hansen 溶解度球的半径） 该分子的 R₀ = 8.。

溶剂 兼容性 Ra 可视化 GC-MS HPLC 应用 参考文献
Water (H₂O)0 g/L（实测）—
✗ NoA (aqueous) (RP)
buffercell cultureanalyticalextraction (hydrophilic)
Ethanol (EtOH)——无依据✗ NoA/B modifier (RP/NP)
extractionspectroscopy (UV-Vis)synthesisHPLC modifier
Methanol (MeOH)——无依据✗ NoA/B (RP) (RP)
HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm
Acetone——无依据✗ NoB modifier (NP)
GC headspacecrystallisationdegreasingsynthesis
Acetonitrile (ACN)——无依据✗ NoB (RP) (RP)
HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis
DMSO——无依据✗ NoN/A (N/A)
NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis
THF——无依据✗ NoB (NP) (NP)
GPC/SEC (polymer analysis)Grignard synthesisorganometallics
DCM (CH₂Cl₂)——无依据✓ YesB (NP) (NP)
extractionNP-HPLCGC-MScrystallisation (anti-solvent)
Chloroform (CHCl₃)——无依据✓ YesN/A (toxic) (N/A)
NMR (CDCl3)lipid extraction (Folch method)NP-TLC
Hexane——无依据✓ YesA (NP) (NP)
NP-HPLCoil extraction (lipids)GC-MSTLC (NP)
Toluene——无依据✓ YesB (NP) (NP)
NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)
📚 溶剂科学参考文献（芝加哥作者-日期格式）——点击展开

11 种溶剂 · 54 条完整引用（NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS）— 见下文。

Water (H₂O)
  1. NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
  2. CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
  3. IAPWS — IAPWS Release on Static Dielectric Constant of Water
  4. Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
  5. GESTIS — GESTIS Substance Database — Water
Ethanol (EtOH)
  1. NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
  2. CRC — CRC Handbook — Ethanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
  4. Smallwood — Handbook of Organic Solvent Properties — Ethanol
  5. GESTIS — GESTIS Substance Database — Ethanol
Methanol (MeOH)
  1. NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
  2. CRC — CRC Handbook — Methanol physical constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
  4. GESTIS — GESTIS Substance Database — Methanol
Acetone
  1. NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
  2. CRC — CRC Handbook — Acetone physical & thermodynamic constants
  3. Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Acetone
  5. GESTIS — GESTIS Substance Database — Acetone
Acetonitrile (ACN)
  1. NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
  2. CRC — CRC Handbook — Acetonitrile constants
  3. Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
  4. Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
  5. GESTIS — GESTIS Substance Database — Acetonitrile
DMSO
  1. NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
  2. Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
  3. Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
  4. Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
  5. GESTIS — GESTIS Substance Database — DMSO
THF
  1. NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
  2. Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
  3. Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
  4. Smallwood — Handbook of Organic Solvent Properties — THF
  5. GESTIS — GESTIS Substance Database — Tetrahydrofuran
DCM (CH₂Cl₂)
  1. NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
  2. IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
  4. Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
  5. GESTIS — GESTIS Substance Database — Dichloromethane
Chloroform (CHCl₃)
  1. NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
  2. IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
  3. Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
  4. Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
  5. GESTIS — GESTIS Substance Database — Chloroform
n-Hexane
  1. NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
  2. ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — 周围神经病变（正己烷并非 IARC 致癌物）
  3. Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
  4. Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
  5. GESTIS — GESTIS Substance Database — n-Hexane
Toluene
  1. NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
  2. IARC 71 — IARC Monograph 71 — Toluene
  3. Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
  4. Smallwood — Handbook of Organic Solvent Properties — Toluene
  5. GESTIS — GESTIS Substance Database — Toluene
溶解性理论（应用于相容性预测）：
  1. Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
  2. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP三元组（dD, dP, dH）+ Ra公式。
  3. Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
  4. Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solvatochromism.
  5. Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
  6. Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution for dD/dP/dH from SMILES.
  7. Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — 250+溶剂的完整表格数据集（ε、μ、供体数、受体数）。
  8. PubChem Compound Database — CAS 117-81-7 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

完整参考文献位于页面底部的参考文献折叠面板——芝加哥格式手册第17版作者-日期格式。

⚗️ 检查反应兼容性
0 0 0
健康： 0/4
易燃性： 0/4
反应性： 0/4
根据NFPA 704 / 由H代码计算

检查Di(2-ethylhexyl) phthalate是否与另一种试剂兼容

📦 储存兼容性矩阵
酸类 碱 氧化剂 易燃 毒性 Gazy
酸类 ✓ ✗ ✗ ✗ ⚠ ✗
碱 ✗ ✓ ⚠ ⚠ ⚠ ⚠
氧化剂 ✗ ⚠ ✓ ✗ ⚠ ✗
易燃 ✗ ⚠ ✗ ✓ ⚠ ✗
毒性 ⚠ ⚠ ⚠ ⚠ ✓ ⚠
Gazy ✗ ⚠ ✗ ✗ ⚠ ✓
✓ 可一起储存 · ⚠ 谨慎 · ✗ 禁止一起储存 · OSHA Chemical Segregation ↗

兼容性数据来源： Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 实验室计算器（8个）
稀释（C₁V₁=C₂V₂）
摩尔浓度（M=n/V）
pH缓冲液（Henderson-Hasselbalch）
Beer-Lambert（A=εcl）
质量→摩尔
浓度%→M
ppm→mg/L
温度 C↔F↔K

已验证的配方： IUPAC Gold Book ↗, DOI ↗

📊 光谱数据库
📋 实验室方案生成器

方案基于以下内容生成： GHS SDS, Aldrich Lab Guide ↗

🏷️ 标签生成器（QR码）
邻苯二甲酸二(2-乙基己基)酯• Bis(2-ethylhexyl) phthalate / Etalon• IUPAC: bis(2-ethylhexyl) benzene-1,2-dicarboxylate• CAS: 117-81-7• EC: 204-211-0• 分子式: C24H38O4• 摩尔质量: 390.6 g/mol危险GHS危险说明：H360FD: May damage fertility. May damage the unborn childP203: 使用前取得、阅读并遵循所有安全说明书。仅供实验室使用！Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.org批号: 净含量:
🧪 溶液配制助手（Smart Prep）

输入您要制备的内容——我将生成SOP

示例如下——点击插入：
预设配方：
📚 科学文献概览 — CAS 117-81-7
⭐ 关键发现（科学文献） 18 出版物
🏆 CAS 117-81-7 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.
  1. #1
    Moore RW; Rudy TA; Lin TM et al. (2001) · Environmental health perspectives
    重要性： 必引文献（经典） · 319 次引用 · open access
    SCORE 9.77 机制 MUST-CITE 引用： 319 Open Access DOI ↗
  2. #2
    Bornehag CG; Carlstedt F; Jönsson BA et al. (2015) · Environmental health perspectives
    重要性： 必引文献（经典） · 185 次引用
    SCORE 8.31 机制 MUST-CITE 引用： 185 DOI ↗
  3. #3
    Chen X; Xu S; Tan T et al. (2014) · International journal of environmental research and public health
    重要性： 必引文献（经典） · 202 次引用
    SCORE 8.12 机制 MUST-CITE 引用： 202 DOI ↗
  4. #4
    et al. (2026) · BMC Pharmacology and Toxicology
    重要性： 近期（2026） · open access
    SCORE 7.85 工业 Open Access DOI ↗ PubMed ↗
  5. #5
    Calafat AM; McKee RH (2006) · Environmental health perspectives
    重要性： 必引文献（经典） · 142 次引用 · 综述
    SCORE 7.27 综述 MUST-CITE 引用： 142 DOI ↗
  6. #6
    et al. (2026) · Frontiers in Public Health
    重要性： 近期（2026） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  7. #7
    et al. (2026) · PLOS Computational Biology
    重要性： 近期（2026） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  8. #8
    et al. (2026) · Discover Oncology
    重要性： 近期（2026） · open access
    SCORE 7.05 机制 Open Access DOI ↗ PubMed ↗
  9. #9
    M. Shelby (2006) · NTP CERHR MON
    重要性： 166 次引用
    SCORE 6.67 工业 引用： 166 Influential: 7 PubMed ↗
  10. #10
    Zachary S. Bomstein; Kimberly F. Allred; Clinton D. Allred (2025) · International Journal of Molecular Sciences
    重要性： 近期（2025） · open access
    SCORE 6.25 药理学 Open Access DOI ↗ PubMed ↗
  11. #11
    et al. (2026) · Toxics
    重要性： 近期（2026） · open access
    SCORE 6.25 机制 Open Access DOI ↗ PubMed ↗
  12. #12
    et al. (2026) · Reproductive Toxicology
    重要性： 近期（2026） · open access
    SCORE 6.25 机制 Open Access DOI ↗ PubMed ↗
  13. #13
    (1982) · National Toxicology Program technical report series
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 5.73 分析 引用： 43 Influential: 3 PubMed ↗
  14. #14
    Sakaoduoen Bunsangiam, Chatsuda Sakdapetsiri, C. Charoenpong et al. (2025) · Journal of Hazardous Materials
    重要性： 近期（2025）
    SCORE 5.43 机制 引用： 2 DOI ↗ PubMed ↗
  15. #15
    Lesa L. Aylward, Sean M. Hays, Michelle Gagné et al. (2009) · Regulatory Toxicology and Pharmacology
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 4.96 机制 引用： 44 Influential: 5 DOI ↗
  16. #16
    et al. (2026) · Journal of Applied Toxicology
    重要性： 近期（2026）
    SCORE 4.8 机制 DOI ↗ PubMed ↗
  17. #17
    Fan Yang; Yan Zhao (2026) · Food and Chemical Toxicology
    重要性： 近期（2026）
    SCORE 4.8 机制 DOI ↗ PubMed ↗
  18. #18
    Substance Name: Bis(2-ethylhexyl) phthalate (DEHP) EC Number: 204-211-0 CAS Number: 117-81-7 MEMBER STATE COMMITTEE SUPPORT DOCUMENT FOR IDENTIFICATION OF BIS(2-ETHYLHEXYL) PHTHALATE (DEHP) AS A SUBSTANCE OF VERY HIGH CONCERN BECAUSE OF ITS ENDOCRINE DISRUPTING PROPERTIES WHICH CAUSE PROBABLE SERIOU
    (2014)
    重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。
    SCORE 2.1 机制 引用： 1 Influential: 1

为什么本页可以核查

标识

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If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.

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This covers the checks we performed and named. It does not cover registration status, tonnage, or your role in the supply chain — those are not ours to hold, and a guarantee that pretended otherwise would be worth nothing.

Import documentation for CAS 117-81-7 (bis(2-ethylhexyl) phthalate), compiled from the binding classification rather than from a supplier’s summary. The product is the document.

bis(2-ethylhexyl) phthalate (CAS 117-81-7) at a glance

  • Substance – bis(2-ethylhexyl) phthalate
  • CAS number – 117-81-7
  • EC number – 204-211-0
  • CLP Annex VI index number – 607-317-00-9
  • Also known as – di-(2-ethylhexyl) phthalate, DEHP
  • Hazard statements – H360FD (may damage fertility and the unborn child)
  • Hazard classes – Repr. 1B
  • Label pictograms – GHS08
  • Signal word – Danger
  • Entry current as of – CLP00
  • CMR classification – yes, classified as carcinogenic, mutagenic or toxic for reproduction
  • Documentation issued – safety data sheet in REACH Annex II structure; working draft or signed card
  • What is supplied – a document. MolGod.org does not sell, supply or ship chemical substances.

How do I check if my SDS for bis(2-ethylhexyl) phthalate is still valid?

If a document concerning bis(2-ethylhexyl) phthalate is already in circulation, the initial consideration should be whether it is incorrect rather than whether to replace it, and if incorrect, in which specific sections. Errors tend to recur across a range of documents; therefore, examining three documents often provides insights that would otherwise require reviewing three hundred.

Is bis(2-ethylhexyl) phthalate on the SVHC candidate list?

Yes — bis(2-ethylhexyl) phthalate appears on the candidate list of substances of very high concern (added 2008-10-28, reason: ED,CMR). That triggers duties that classification alone does not: notification to ECHA above the tonnage threshold, and an obligation to inform recipients where the substance is present in an article above 0.1 % by weight. It is also listed in Annex XIV, with a sunset date of 2015-02-21. Once a substance reaches Annex XIV, continued use in the Union requires an authorisation granted for a named use — a supplier relationship alone is not a legal basis. Outside the Union the same substance appears on AICS (AU), DSL — toxic (CA). Exporters are read against the list of the destination, not of the origin.

Storage and handling in the document

Section 7 of the documentation for bis(2-ethylhexyl) phthalate outlines handling and storage procedures, including incompatible materials, conditions to be avoided, and any segregation requirements arising from its classification. Laboratories reviewing this section require explicit instructions rather than general warnings; for instance, a statement such as ‘store in a cool dry place’ is insufficient, as it leaves the responsibility of defining specific storage conditions to the personnel.

Is bis(2-ethylhexyl) phthalate classified as a CMR substance?

CAS 117-81-7 is classified as a CMR substance (H360FD). That status changes the obligations attached to every shipment: workplace exposure documentation, restrictions on supply to the general public, and substitution pressure from downstream users who must justify continued use. A safety data sheet for a CMR substance is read more closely than any other, because the classification itself invites scrutiny.

What is the EC number for bis(2-ethylhexyl) phthalate?

Alongside CAS 117-81-7, this substance carries EC number 204-211-0 and Annex VI index 607-317-00-9. European documentation is built around the EC number as often as around the CAS: registration dossiers, the candidate list and customs systems key on it. A safety data sheet quoting only one of the two forces every downstream reader to look up the other.

How is bis(2-ethylhexyl) phthalate classified for road, sea and air transport?

The transport classification for bis(2-ethylhexyl) phthalate falls under section 14 and varies depending on the mode of transport: ADR for road, IMDG for sea, and IATA for air. A document that prints all three classifications without specifying which one applies places the responsibility on the shipper to select the correct one, and it is the shipper who faces penalties for making an incorrect choice.

Which GHS pictograms apply to bis(2-ethylhexyl) phthalate?

The label for bis(2-ethylhexyl) phthalate carries GHS08 (health hazard), with the signal word Danger. These are not chosen by the supplier: CLP Annex VI states them for CAS 117-81-7, and the precedence rules in Annex I decide which pictogram is dropped when two would say the same thing. A label showing a different set from the register is wrong even if every hazard statement on it is correct.

What is the CLP classification of bis(2-ethylhexyl) phthalate?

The harmonised classification for CAS 117-81-7 carries 1 hazard statement: H360FD. In plain terms this means may damage fertility and the unborn child. A harmonised entry is binding across the Union — an importer may not soften it, and a self-classification that diverges from it will not survive an enforcement check.

What must the label for bis(2-ethylhexyl) phthalate contain?

The supply label for bis(2-ethylhexyl) phthalate is generated from the same classification that drives the safety data sheet: pictograms selected by precedence, one signal word derived from the highest hazard class present, and the hazard statements H360FD reproduced in full. Where the container is too small to carry the complete set at a legible size, there are lawful ways to handle it and unlawful ones that look identical to a non-specialist.

Identifiers that must agree

This substance is identified by three specific codes: the CAS number 117-81-7, the Annex VI index number 607-317-00-9, and the name listed in the register. It is essential that these identifiers match, as any discrepancy represents the most subtle error in documentation. While individual documents may appear correct on their own, cross-verification can reveal that they refer to different entities.

What do customs check when importing bis(2-ethylhexyl) phthalate?

When a consignment of bis(2-ethylhexyl) phthalate is stopped at the border, the document examined first is rarely the invoice. It is section 14 of the safety data sheet and its agreement with the transport papers. A missing packing group, an absent UN number or a proper shipping name that contradicts the classification of CAS 117-81-7 will hold the pallet regardless of how complete the remaining fifteen sections are.

Stability, reactivity and incompatibilities

Incompatibilities for bis(2-ethylhexyl) phthalate belong in section 10 and must not contradict the storage guidance in section 7. Where a sheet lists a material as incompatible in one section and acceptable in another, the document has stopped being usable.

Accidental release and containment

Emergency procedures for bis(2-ethylhexyl) phthalate are designed for immediate action during an incident, with section 6 focusing on efficiency: outlining what should be evacuated, what materials are appropriate for containment, and which substances must not be used in the process.

Disposal route and waste classification

Waste arising from bis(2-ethylhexyl) phthalate is classified by the holder, but the sheet has to supply the information that classification rests on. That is why section 13 and section 2 are read together, and why a mismatch between them is treated as a defect.

First-aid content and why it is read first

When an exposure to bis(2-ethylhexyl) phthalate happens, nobody reads sixteen sections. They read section 4, and they read it in the language of the person holding the sheet. Both facts should shape how that section is written and translated.

Questions about documentation for bis(2-ethylhexyl) phthalate

Do I need a safety data sheet to import bis(2-ethylhexyl) phthalate into the EU?

Yes. A sheet compiled to Annex II of REACH must exist before the first consignment moves, and it must be held by the entity placing the substance on the Union market.

What is the CAS number of bis(2-ethylhexyl) phthalate?

CAS 117-81-7. In CLP Annex VI the same substance carries index number 607-317-00-9, and both identifiers should appear in the documentation.

Is bis(2-ethylhexyl) phthalate a CMR substance?

Yes. The harmonised classification places it among substances classified as carcinogenic, mutagenic or toxic for reproduction, which changes workplace documentation and supply restrictions.

What hazard statements apply to CAS 117-81-7?

The harmonised entry lists H360FD. These are binding across the Union and may not be softened by a self-classification.

MolGod.org issues documentation and does not sell, supply or ship chemical substances. CAS 117-81-7 identifies the subject of this document.

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文件用途 工作草稿
€49.99		 专家审核版
€249.99
内部起草与审查 YesYes
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供检查员或主管机关审阅 并非为此编写Yes
根据您的公司、等级和已确定用途进行调整 NoYes
由审核人签名并注明日期 NoYes
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您可以将草稿发送给任何人。“并非为此编写”的意思正是如此：它没有签名，也没有针对贵公司调整的字段，因此无法回答收件方即将提出的问题。

签名的含义

文件由谁编制
The document is generated by the MolGod engine from ECHA CLP Annex VI and the cited public sources, then read section by section by a qualified scientific reviewer with a degree in chemistry or a related scientific field.
审核范围
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我们不检测您的物料，也无法确认您容器中实际装有什么：成分、浓度、杂质或生产路线。这些信息由您提供，并按您提供的内容如实转载。
签名意味着什么 — 以及不意味着什么
The signature records that a qualified scientific reviewer read the document. It is not a government approval, not an ECHA approval, and not a legal certification — no such certification exists for safety data sheets in the EU. A signature does not by itself make a document legally valid or make your business compliant.
您将收到的内容
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Related products

📋 Status prawny (REACH / TSCA / UK)
JurysdykcjaListaStatusSunset
EUREACH Annex XIVlisted2015-02-21
EUSVHClisted—
UKSVHClisted—
CADSL (toxic)restricted—
AUAICSrestricted—
📄 分析证书（CoA） CAS 117-81-7 无

数据库中无此产品的证书。

📚 科学参考文献（芝加哥作者-日期格式）——点击展开

批次管理与实验室认证标准——13个独立来源（ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG）。

  1. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [链接 ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
  2. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [链接 ↗] — Lab accreditation standard underpinning every CoA
  3. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [链接 ↗] — WHO TRS No. 957 — global reference for GMP
  4. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [链接 ↗] — Source for batch shelf-life and retest dating
  5. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [链接 ↗]
  6. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [链接 ↗] — CoA acceptance-criteria specification standard
  7. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [链接 ↗]
  8. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [链接 ↗] — US legal mandate (Subpart J — Records and Reports)
  9. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [链接 ↗]
  10. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [链接 ↗]
  11. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [链接 ↗]
  12. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [链接 ↗] — Cross-recognized GMP for 54 inspectorates worldwide
  13. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [链接 ↗] — Excipient-grade CoA standard for non-API ingredients
📜 专利（公开元数据） 无数据

目前未在Crossref/OpenAlex中找到该物质的公开专利元数据。数据将在下次缓存刷新（24小时）后自动更新。

📚 参考文献（芝加哥作者-日期格式）——点击展开
  1. Yin D, Li Y, Wu W et al.. (2026). "Di(2-ethylhexyl) phthalate exposure: Association with metabolic associated steatotic liver disease and underlying mechanisms.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2026.120210
  2. Zhang Z, Han H, Ding L et al.. (2026). "Di(2-ethylhexyl) phthalate induces male reproductive toxicity through mitophagy-dependent ferroptosis of spermatocytes in mice.". Free radical biology & medicine. https://doi.org/10.1016/j.freeradbiomed.2026.01.014
  3. Wang Z, Wang Y. (2025). "Mechanism exploration of di(2-ethylhexyl) phthalate (DEHP)-induced breast cancer via network toxicology and molecular docking analysis.". Scientific reports. https://doi.org/10.1038/s41598-025-13201-1
  4. Xu L, Shi M, Qin G et al.. (2025). "Environmental pollutant Di-(2-ethylhexyl) phthalate induces asthenozoospermia: new insights from network toxicology.". Molecular diversity. https://doi.org/10.1007/s11030-024-10976-9
  5. Hao JQ, Ran B, Hu SY et al.. (2025). "Exploring the link between Di-2-ethylhexyl phthalate (DEHP) exposure and muscle mass: A systematic investigation utilizing NHANES data analysis, network toxicology and molecular docking approaches.". Ecotoxicology and environmental safety. https://doi.org/10.1016/j.ecoenv.2025.118132
  6. Linghu D, Zhu Z, Zhang D et al.. (2024). "Diethylhexyl phthalate induces immune dysregulation and is an environmental immune disruptor.". Journal of hazardous materials. https://doi.org/10.1016/j.jhazmat.2024.136244
  7. Tang L, Wang Y, Yan W et al.. (2024). "Exposure to di-2-ethylhexyl phthalate and breast neoplasm incidence: A cohort study.". The Science of the total environment. https://doi.org/10.1016/j.scitotenv.2024.171819
  8. Naohide Shinohara. (2023). "Bis(2-ethylhexyl) phthalate transfer from polyvinyl chloride sheet to several kinds of particles". Chemosphere. https://doi.org/10.1016/j.chemosphere.2023.139438
  9. Yang Ling Kee, Sumona Mukherjee, Agamuthu Pariatamby. (2015). "Effective remediation of phenol,2,4-bis(1,1-dimethylethyl) and bis(2-ethylhexyl) phthalate in farm effluent using Guar gum – A plant based biopolymer". Chemosphere. https://doi.org/10.1016/j.chemosphere.2015.04.074
  10. (2014). "Bis(2-ethylhexyl)phthalate (DEHP)". Food Safety. https://doi.org/10.14252/foodsafetyfscj.2014008e
  11. (2014). "Erratum: Bis(2-ethylhexyl)phthalate (DEHP)". Food Safety. https://doi.org/10.14252/foodsafetyfscj.2014.008e1
  12. Lesa L. Aylward, Sean M. Hays, Michelle Gagné et al.. (2009). "Derivation of Biomonitoring Equivalents for di(2-ethylhexyl)phthalate (CAS No. 117-81-7)". Regulatory Toxicology and Pharmacology. https://doi.org/10.1016/j.yrtph.2009.09.001
  13. Kenneth R. Harris. (2009). "Temperature and Pressure Dependence of the Viscosities of 2-Ethylhexyl Benzoate, Bis(2-ethylhexyl) Phthalate, 2,6,10,15,19,23-Hexamethyltetracosane (Squalane), and Diisodecyl Phthalate". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je900284z
  14. World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
  15. U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
  16. European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
  17. Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
  18. Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
  19. Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
  20. Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
  21. Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
  22. Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
  23. Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
  24. Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
  25. Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/117-81-7?status=active&limit=10

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📚 参考文献（综合书目，芝加哥作者-日期格式） 79 条目

以上折叠面板中针对CAS号117-81-7引用的所有科学来源。格式： 《芝加哥格式手册》第17版，作者-日期系统.

🗄️ 科学数据库

  1. NIST. n.d. NIST Chemistry WebBook: CAS 117-81-7. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=117-81-7.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 117-81-7. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
  3. Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
  4. PubChem. n.d. PubChem Compound Summary: CAS 117-81-7. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=117-81-7.
  5. ECHA. n.d. C&L Inventory and REACH Registration: CAS 117-81-7. Helsinki: European Chemicals Agency. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

📐 标准/指南

  1. ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  2. National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
  3. Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
  4. European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
  5. European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
  6. European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
  7. European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
  8. National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
  9. Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 书籍

  1. Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
  2. Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
  3. Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
  4. Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
  5. Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📘 专著

  1. IARC. n.d. IARC Monographs on the Identification of Carcinogenic Hazards to Humans: CAS 117-81-7. Lyon, France: International Agency for Research on Cancer, World Health Organization. https://monographs.iarc.who.int/list-of-classifications/.

📄 科学文章（同行评审）

  1. Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
  2. Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 网站

  1. ECHA. 2023. "Guidance on the Application of the CLP Criteria." European Chemicals Agency. https://echa.europa.eu/guidance-documents/guidance-on-clp.
  2. European Parliament. 2006. "Regulation (EC) No 1907/2006 (REACH)." Official Journal of the European Union L 396: 1–849.
  3. ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
  4. European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
  5. ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
  6. ECHA. 2022. "Restrictions Under REACH — Annex XVII." European Chemicals Agency. https://echa.europa.eu/substances-restricted-under-reach.
  7. United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
  8. ECHA. 2020. "Understanding REACH." European Chemicals Agency. https://echa.europa.eu/regulations/reach/understanding-reach.
  9. United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
  10. European Pharmacopoeia Commission. 2024. "2.2.46 Chromatographic Separation Techniques." In European Pharmacopoeia, 11th ed. Strasbourg: Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  11. International Council for Harmonisation (ICH). 2022. "ICH Q2(R2): Validation of Analytical Procedures." International Council for Harmonisation. https://database.ich.org/sites/default/files/ICH_Q2%28R2%29_Guideline_2022_1130.pdf.
  12. International Council for Harmonisation (ICH). 1996. "ICH Q3A: Impurities in New Drug Substances." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  13. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
  14. Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
  15. Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
  16. Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
  17. EURACHEM/CITAC. 2012. "Quantifying Uncertainty in Analytical Measurement." 3rd ed. EURACHEM/CITAC Guide CG 4. https://www.eurachem.org/images/stories/Guides/pdf/QUAM2012_P1.pdf.
  18. International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
  19. Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
  20. Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
  21. Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
  22. Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
  23. Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
  24. International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
  25. Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
  26. United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
  27. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
  28. International Maritime Organization. 2024. International Maritime Dangerous Goods (IMDG) Code, 2024 Edition (Amendment 42-24). London: IMO. https://www.imo.org/en/OurWork/Safety/Pages/DangerousGoods-default.aspx.
  29. United Nations. 2025. Recommendations on the Transport of Dangerous Goods: Model Regulations (Orange Book). 24th revised ed. ST/SG/AC.10/1/Rev.24. New York and Geneva: United Nations. https://unece.org/transport/dangerous-goods/un-model-regulations.
  30. International Civil Aviation Organization. 2025. Technical Instructions for the Safe Transport of Dangerous Goods by Air (Doc 9284). 2025–2026 ed. Montreal: ICAO. https://www.icao.int/safety/DangerousGoods/Pages/technical-instructions.aspx.
  31. European Commission. 2014. "Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC." Official Journal of the European Union. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32014D0955.
  32. Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. "Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów." Dziennik Ustaw RP 2020 poz. 10. https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20200000010. 国家规定——波兰
  33. Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/. 国家规定——波兰
  34. Polska — Sejm RP. 2012. "Ustawa z dnia 14 grudnia 2012 r. o odpadach." Dz.U. 2013 poz. 21 (z późn. zm.). https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20130000021. 国家规定——波兰
  35. Furr, A. Keith, ed.. 2000. "CRC Handbook of Laboratory Safety." CRC Press.
  36. Pohanish, Richard P.. 2017. "Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens." Elsevier.
  37. Lewis, Richard J.. 2012. "Sax's Dangerous Properties of Industrial Materials." Wiley.
  38. NIOSH. 2024. "Pocket Guide to Chemical Hazards." U.S. Department of Health and Human Services. https://www.cdc.gov/niosh/npg/.
  39. OSHA. 2024. "Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER)." Occupational Safety and Health Administration. https://www.osha.gov/chemicaldata.
  40. European Parliament and Council. 2008. "Directive 2008/98/EC on waste (Waste Framework Directive)." Official Journal of the European Union L 312/3. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008L0098.
  41. European Parliament and Council. 2009. "Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures." Official Journal of the European Union L 353. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272.
  42. United Nations Economic Commission for Europe (UNECE). 2023. "European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." UNECE. https://unece.org/transport/standards/transport/dangerous-goods/adr-2025.
  43. IPCS INCHEM. 2024. "International Programme on Chemical Safety — Waste Management Guidelines." WHO/UNEP/ILO. https://www.inchem.org/.
  44. European Parliament and Council. 2006. "Regulation (EC) No 1013/2006 on Shipments of Waste." Official Journal of the European Union L 190: 1–98. https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32006R1013.
  45. International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. https://database.ich.org/sites/default/files/Q7%20Guideline.pdf.
  46. International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
  47. World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
  48. International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
  49. International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. https://database.ich.org/sites/default/files/Q3A%28R2%29%20Guideline.pdf.
  50. International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. https://database.ich.org/sites/default/files/Q6A%20Guideline.pdf.
  51. International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. https://database.ich.org/sites/default/files/Q10%20Guideline.pdf.
  52. U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. https://www.ecfr.gov/current/title-21/chapter-I/subchapter-C/part-211.
  53. European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-process-validation-finished-products-information-data-be-provided-regulatory-submissions-revision-1_en.pdf.
  54. United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. https://www.uspnf.com/.
  55. European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. https://www.edqm.eu/en/european-pharmacopoeia-ph-eur-11th-edition.
  56. Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
  57. International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. https://ipecamericas.org/sites/default/files/IPECPQGGMPGuide2017.pdf.
📥 下载BibTeX📥 下载RIS导入到Zotero/Mendeley/EndNote/Papers。
📜 许可与来源PREDICTED MODEL · NOT VERIFIED
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

2 stereo element(s) undefined in the source record (2 stereocentre(s), 0 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/8343
diethylhexyl phthalate (CAS 117-81-7), C24H38O4 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL preview下载图片

MG-STL-117-81-7-ENGRAVED · 773,224 △ · 37 MB · SHA-256 888c6a6780ad55a4

下载 3D 模型 · ENGRAVED · C H O

diethylhexyl phthalate (CAS 117-81-7), C24H38O4 - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG-STL-117-81-7-NORMAL · 27,456 △ · 1 MB · SHA-256 eb6e8d32f31570c5

下载 3D 模型

模型
diethylhexyl phthalate · 117-81-7
InChIKey
BJQHLKABXJIVAM-UHFFFAOYSA-N
许可协议
CC BY-SA 4.0 International (来源权利 未确定 — 尚未授予)
署名
MolGod Scientific — diethylhexyl phthalate (CAS 117-81-7)
许可与来源记录
diethylhexyl phthalate (CAS 117-81-7) →
MolGod 分子记录
diethylhexyl phthalate →
源数据
PubChem CID 8343 ↗
模型信息
由 MolGod 生成的 STL · MolGod STL Exporter build fc95eb592b22 · 生成于 2026-10-07
SHA-256 (STL)
eb6e8d32f31570c5c995f6909f5a46c43999b923bf2bd3fcd969b5cd9ad68c87
MD5 (STL)
f0d3d407113d616f2dc827b76c6c64f0
模型标识符
MG-STL-117-81-7
转换
MolGod Scientific 球棍模型网格
更改
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
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本许可适用于 MolGod 创建的 STL 网格，不自动适用于第三方源材料。