1,2-Propanediol (CAS 57-55-6)

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1,2-Propanediol. CAS 57-55-6.

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

Free, and generated automatically from the sources listed on this page. No person has reviewed it, and it describes the substance in general — not your material, your process or your intended market.

REACH 2020/878
v1 · 02.09.2026

Section 9 — physicochemical properties: 13 of 22 established.

We show what is established and name what is not. Classification and identity are complete on every card; section 9 is where public data is thin.

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化学概述: Propylene Glycol
分子式C3H8O2[1]
分子量76.09 g/mol[1]
熔点-60 °C[1][2]
沸点188.2 °C (760 mmHg)[2][3]
密度1.0361 g/cm³[1][2][3]
LogP(亲脂性)-0.92[1]
pKa14.89
IUPAC名称propane-1,2-diol[1]
SMILESCC(CO)O[1]
InChIKeyDNIAPMSPPWPWGF-UHFFFAOYSA-N[1]

同义词: propylene glycol · 1,2-propanediol · 57-55-6 · propane-1,2-diol · 1,2-Propylene glycol

数据来源: PubChem (NLM/NIH), Yaws Handbook 2nd ed. (2014)
最后更新: 2026-09-02

📚 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 · 熔点 · 密度 · LogP(亲脂性) · IUPAC名称 · SMILES · InChIKey
  2. Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. applies to: 熔点 · 沸点 · 密度
  3. 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 · 密度

科学研究

[1]Europe PMC2023
(2023). "Molecular-Level Interactions in Binary Mixtures of 1-Ethyl-3-methylimidazolium Ethylsulfate and Propane-1,2-diol: The Interplay between Intermolecular and Intramolecular Hydrogen Bonding.". h
[2]Doaj2023
Alexander A. Bredikhin, Zemfira A. Bredikhina, Aida I. Samigullina et al.. (2023). "3-(2-Chloro-5-methylphenoxy)propane-1,2-diol". Molbank. https://doi.org/10.3390/M1624
[3]Europe PMC2022
(2022). "Synthesis and Hydrophilicity Analysis of bis(propane-1,2-diol) Terminated Polydimethylsiloxanes (PDMSs).". https://doi.org/10.3390/ma15030753
[4]Europe PMC2021
et al.. (2021). "The Additive Influence of Propane-1,2-Diol on SDS Micellar Structure and Properties.". https://doi.org/10.3390/molecules26123773
[5]Europe PMC2018
et al.. (2018). "Re-evaluation of propane-1,2-diol (E 1520) as a food additive.". https://doi.org/10.2903/j.efsa.2018.5235
[6]Europe PMC2018
et al.. (2018). "Re-evaluation of propane-1,2-diol alginate (E 405) as a food additive.". https://doi.org/10.2903/j.efsa.2018.5371
[7]Europe PMC2018
et al.. (2018). "Re-evaluation of propane-1,2-diol esters of fatty acids (E 477) as a food additive.". https://doi.org/10.2903/j.efsa.2018.5497
[8]Europe PMC2017
et al.. (2017). "Validated method for the determination of propane-1,2-diol, butane-2,3-diol, and propane-1,3-diol in cheese and bacterial cultures using phenylboronic esterification and GC-MS.". http
📚 科学参考文献(芝加哥作者-日期格式) 20 refs · 3 baz

MOLECULE 按CAS号参考文献(实时来自13+数据库)

来源: db:Europe PMC (17) · db:doaj (1) · db:crossref (2)

  1. db:Europe PMC (2023). "Molecular-Level Interactions in Binary Mixtures of 1-Ethyl-3-methylimidazolium Ethylsulfate and Propane-1,2-diol: The Interplay between Intermolecular and Intramolecular Hydrogen Bonding.". https://doi.org/10.1021/acsomega.3c03457
  2. db:doaj Alexander A. Bredikhin, Zemfira A. Bredikhina, Aida I. Samigullina et al.. (2023). "3-(2-Chloro-5-methylphenoxy)propane-1,2-diol". Molbank. https://doi.org/10.3390/M1624
  3. db:Europe PMC (2022). "Synthesis and Hydrophilicity Analysis of bis(propane-1,2-diol) Terminated Polydimethylsiloxanes (PDMSs).". https://doi.org/10.3390/ma15030753
  4. db:Europe PMC et al.. (2021). "The Additive Influence of Propane-1,2-Diol on SDS Micellar Structure and Properties.". https://doi.org/10.3390/molecules26123773
  5. db:Europe PMC et al.. (2018). "Re-evaluation of propane-1,2-diol (E 1520) as a food additive.". https://doi.org/10.2903/j.efsa.2018.5235
  6. db:Europe PMC et al.. (2018). "Re-evaluation of propane-1,2-diol alginate (E 405) as a food additive.". https://doi.org/10.2903/j.efsa.2018.5371
  7. db:Europe PMC et al.. (2018). "Re-evaluation of propane-1,2-diol esters of fatty acids (E 477) as a food additive.". https://doi.org/10.2903/j.efsa.2018.5497
  8. db:Europe PMC et al.. (2017). "Validated method for the determination of propane-1,2-diol, butane-2,3-diol, and propane-1,3-diol in cheese and bacterial cultures using phenylboronic esterification and GC-MS.". https://doi.org/10.1016/j.foodchem.2017.03.069
  9. db:crossref José J. Cano-Gómez, Gustavo A. Iglesias-Silva, Luis D. Cortez-Sánchez et al.. (2017). "Densities and Viscosities for Binary Liquid Mixtures of Butan-1-ol + Propane-1,2-diol, + Butane-1,2-diol and 2-Methylpropan-1-ol + Propane-1,2-diol, + Butane-1,2-diol from 298.15 to 333.15 K at 0.1 MPa". Journal of Chemical & Engineering Data. https://doi.org/10.1021/acs.jced.7b00621
  10. db:Europe PMC et al.. (2015). "Solubility and thermodynamic behavior of vanillin in propane-1,2-diol+water cosolvent mixtures at different temperatures.". https://doi.org/10.1016/j.foodchem.2015.04.113
  11. db:crossref Changsheng Yang, Xue Feng, Yankai Sun et al.. (2015). "Isobaric Vapor–Liquid Equilibrium for Two Binary Systems{Propane-1,2-diol + Ethane-1,2-diol and Propane-1,2-diol + Butane-1,2-diol} at p = (10.0, 20.0, and 40.0) kPa". Journal of Chemical & Engineering Data. https://doi.org/10.1021/je5010824
  12. db:Europe PMC et al.. (2012). "3-(4-(tert-Octyl)phenoxy)propane-1,2-diol suppresses inflammatory responses via inhibition of multiple kinases.". https://doi.org/10.1016/j.bcp.2012.02.018
  13. db:Europe PMC (2005). "Synthesis and stability studies of the glutathione and N-acetylcysteine adducts of an iminoquinone reactive intermediate generated in the biotransformation of 3-(N-phenylamino)propane-1,2-diol: implications for toxic oil syndrome.". https://doi.org/10.1021/tx050171n
  14. db:Europe PMC et al.. (2005). "Novel mutual pro-drugs of 2',3'-dideoxyinosine with 3-octadecyloxy-propane-1,2-diol by straightforward enzymatic regioselective synthesis in acetone.". https://doi.org/10.1007/s10529-004-7335-1
  15. db:Europe PMC et al.. (2002). "The crystal structure of coenzyme B12-dependent glycerol dehydratase in complex with cobalamin and propane-1,2-diol.". https://doi.org/10.1046/j.1432-1033.2002.03151.x
  16. db:Europe PMC et al.. (2002). "Occurrence of 3-chloro-propane-1,2-diol (3-MCPD) and related compounds in foods: a review.". https://doi.org/10.1080/02652030210132391
  17. db:Europe PMC et al.. (1996). "Cryopreservation of human skin with propane-1,2-diol.". https://doi.org/10.1006/cryo.1996.0056
  18. db:Europe PMC (1990). "Cryopreservation of human platelets with propane-1,2-diol.". https://doi.org/10.1016/0011-2240(90)90004-n
  19. db:Europe PMC et al.. (1987). "Perfusion of rabbit kidneys with solutions containing propane-1,2-diol.". https://doi.org/10.1016/0011-2240(87)90045-9
  20. db:Europe PMC et al.. (1982). "A pharmacological study of propane-1,2-diol.".
物质监管状态
该物质受监管要求约束: 危险废物管理(BDO登记册). 详细信息请参见“法规状态(REACH/ECHA/CLP)”章节及安全数据表。 监管信息——不限制在本店购买。
🧪 化学数据
CAS号
57-55-6
分子式
C3H8O2
摩尔质量
76.09 g/mol
IUPAC名称 (EN)
propane-1,2-diol
SMILES
CC(CO)O
InChIKey
DNIAPMSPPWPWGF-UHFFFAOYSA-N
⚗️ Physicochemical properties
Temp. wrzenia
186.9
Density
1.04

Source: PubChem, NIST WebBook. Last updated: 2026-09-02

🔍 外部标识符
15 / 16个ID系统94%
数据库标识符操作
CAS Registry Number57-55-6打开 →
PubChem CID1030[1]打开 →
InChIKeyDNIAPMSPPWPWGF-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3[1]
SMILESCC(CO)O[1]
EC Number200-338-0[2]打开 →
ChEMBLCHEMBL286398[3]打开 →
DrugBankDB01839打开 →
KEGG CompoundD00078打开 →
HMDBHMDB0001881打开 →
ChemSpider13835224[4]打开 →
MeSH UID (NLM)D019946打开 →
UNII (FDA)6DC9Q167V3打开 →
NSC Number (NCI)69860打开 →
WikiData QIDQ161495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 (1)

  1. ★★☆☆☆ CROSSREF 🔓 开放 ❓ 未验证 Anonymous. 2001. "Final Report on the Safety Assessment of PEG-25 Propylene Glycol Stearate, PEG-75 Propylene Glycol Stearate, PEG-120 Propylene Glycol Stearate, PEG-10 Propylene Glycol, PEG-8 Propylene Glycol Cocoate, and PEG-55 Propylene Glycol Oleate." International Journal of Toxicology 20 (6): 13-26. https://doi.org/10.1080/10915810152902556. 链接 [访问日期: 2026-09-02]

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1,2-Propanediol — CAS 57-55-6. Listed by Xilong Scientific. Prepared from the supplier’s public catalogue; not verified against their internal data.

数据来自PubChem来源: PubChem (NIH) · ChEMBL