1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9)

Phenyl Trimethicone. CAS 2116-84-9.

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🧬 3D分子可视化器
正在加载分子...
3D模型1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane,CAS 2116-84-9,分子式C15H32O3Si4, 摩尔质量 372.75 g/mol

模型视图

  • 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9) – 3D球棍模型, MolGod Viewer
    3D球棍模型
  • 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9) – 3D骨架模型, MolGod Viewer
    3D骨架模型
  • 3D空间填充模型 – 旋转动画
  • 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9) – 二维结构, MolGod Viewer
    二维结构

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🖨️ 3D 打印模型与许可
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9), C15H32O3Si4 - 3D ball-and-stick molecular model, engraved element symbols (C H O Si), MolGod STL preview下载图片

MG_285-260-120-07 · engraved · 654,658 △ · 31 MB · SHA-256 6a41cb43ce7e4895

下载 3D 模型 · ENGRAVED · C H O Si

1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9), C15H32O3Si4 - 3D ball-and-stick molecular model, MolGod STL preview下载图片

MG_285-260-120-07 · normal · 22,752 △ · 1 MB · SHA-256 e02a633904def07f

下载 3D 模型

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📊 物理化学数据 — CAS 2116-84-9
📊 物理化学性质

快速参考

化学式: C15H32O3Si4
分子量: 372.75 g/mol
CAS号: 2116-84-9
🔬 高级属性

化学标识符

SMILES: C[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si](C)(C)C

最后更新: 2026-09-02

化学概述: 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane
分子式C15H32O3Si4[1]
分子量372.75 g/mol[1]
IUPAC名称trimethyl-[phenyl-bis(trimethylsilyloxy)silyl]oxysilane[1]
SMILESC[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si](C)(C)C[1]
InChIKeyLINXHFKHZLOLEI-UHFFFAOYSA-N[1]

同义词: 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane · RefChem:1051654 · DTXCID9030414 · 2116-84-9 · Phenyltris(trimethylsiloxy)silane

数据来源: PubChem (NLM/NIH)
最后更新: 2026-09-03

📚 科学参考文献(芝加哥作者-日期格式) (1 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · IUPAC名称 · SMILES · InChIKey
物质监管状态
在已检查的限制清单(SVHC候选清单、REACH附件XVII;数据集不完整——这不构成合规确认)中未找到该CAS号的条目。CLP分类和运输状态(ADR):请参见GHS章节及安全数据表(SDS)。
🧮 化学计量计算器
🧪 化学数据
CAS号
2116-84-9
分子式
C15H32O3Si4
摩尔质量
372.75 g/mol
IUPAC名称 (EN)
trimethyl-[phenyl-bis(trimethylsilyloxy)silyl]oxysilane
SMILES
C[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si](C)(C)C
InChIKey
LINXHFKHZLOLEI-UHFFFAOYSA-N
📡 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.

🔍 外部标识符
8 / 16个ID系统50%
数据库标识符操作
CAS Registry Number2116-84-9打开 →
PubChem CID62427[1]打开 →
InChIKeyLINXHFKHZLOLEI-UHFFFAOYSA-N[1]打开 →
SMILESC[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si]…[1]
EC Number218-320-6[2]打开 →
ChemSpider56211[3]打开 →
UNII (FDA)S3QI0ZXT5X打开 →
WikiData QIDQ27288541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) (3 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: PubChem CID · InChIKey · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ applies to: EC Number
  3. ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ applies to: ChemSpider
📡 光谱学 — CAS 2116-84-9
📊 光谱(NMR、IR、MS、UV-Vis) (1)

可用光谱类型: IR

红外光谱 (KBr, 4000-400 cm⁻¹)

492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
参数值单位
分子式C15H32O3Si4
摩尔质量372.75g/mol
精确质量372.14285102Da
单同位素质量372.14285102Da
拓扑极性表面积(TPSA)27.7000Ų
复杂度指数308
氢键供体0
氢键受体3
可旋转键7
重原子22
立体中心(原子)0
立体中心(键)0
3D 体积321.7000ų
3D 构象数10
构象模型 RMSD0.8000Å
有效 3D 旋转键7
氢键受体(3D)0
氢键供体(3D)0
环(3D)1
疏水中心(3D)0
立体四极3D(X/Y/Z)5.77 / 4.61 / 3.60Ų

来源: PubChem计算属性,CID 62427

❓ 常见问题 (4)
What is 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane?
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9) is a chemical compound with the molecular formula C15H32O3Si4 and a molecular weight of 372.75 g/mol. The chemical data comes from PubChem (National Institutes of Health, USA).
有帮助吗?
What is the CAS number of 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane?
The CAS number for 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane is 2116-84-9. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
有帮助吗?
What is the chemical formula of 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane?
The molecular formula of 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane is C15H32O3Si4. Its molecular weight is 372.75 g/mol.
有帮助吗?
How should 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane be stored?
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane should be stored as its safety data sheet directs — typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
有帮助吗?
➕ 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: 62427

🔄 浓度单位转换器 实时

输入1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane浓度(任意单位),其余将自动计算。

分子量: 372.75 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.811e2008
    → 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

分子描述符

参数值单位
拓扑极性表面积(TPSA)27.70Ų
极性低,易穿透血脑屏障
复杂度指数308.0
形式电荷0
中性分子

3D 药效团特征

参数值单位
氢键受体(3D)0
氢键供体(3D)0
环(3D)1
疏水中心(3D)0
阴离子中心(3D)0
阳离子中心(3D)0

形状与体积

参数值单位
3D 体积321.70ų
可旋转键7
重原子22

TPSA 解读和 Lipinski 规则是针对小分子口服药物的经验规则(Lipinski 1997、Veber 2002、Kelder 1999),并非对该物质吸收或毒性的评估——安全数据见安全数据表。

来源: PubChem计算属性,CID 62427

🛡️ 安全 — CAS 2116-84-9
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)
GHS06 — 毒性
GHS06 毒性
GHS07 — 刺激性/有害
GHS07 刺激性/有害

🛡 防范说明(P)

  • P260 — 不要吸入粉尘/烟/气体/气雾/蒸气/喷雾。
  • P264 — 作业后彻底清洗手部[和……]。
  • P271 — 只能在室外或充分通风的情况下使用。
  • P280 — 戴防护手套/穿防护服/戴防护眼罩/戴防护面具/戴听力保护装置……
  • P284 — 在通风不足的情况下戴呼吸防护装置
  • P302+P352 — 如皮肤沾染:: 用水充分清洗/……
  • P304+P340 — 如误吸入:: 将人转移到空气新鲜处,保持呼吸舒适体位。
  • P305+P351+P338 — 如进入眼睛:: 用水小心冲洗几分钟。; 如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。
  • P310 — 立即呼叫中毒急救中心/医生/……
  • P312 — 如感觉不适,呼叫中毒急救中心/医生/……
  • P320 — 必须立即接受专门治疗(见本标签上的……)。
  • P332+P313 — 如发生皮肤刺激:: 求医/就诊。
  • P337+P313 — 如眼刺激持续:: 求医/就诊。
  • P403+P233 — 存放于通风良好处。: 保持容器密闭。
  • P405 — 存放处须加锁。
  • P501 — 处置内装物/容器……

⚠ 基于来源共识的分类(PubChem/供应商通知)——未与附件VI(CLP)中的统一分类进行验证。危害范围可能比官方分类更广;使用前请与供应商当前的安全数据表进行验证。

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: 2116-84-9 · 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

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)
📅 项目规划器——实验室实验管理器 新品

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🧪 溶解性和溶剂兼容性
分子
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane
分子式
C15H32O3Si4
logP (XLogP3)
—
摩尔质量(g/mol)
372.75
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。

该物质暂无溶剂相容性表。
Hansen 参数超出该方法的范围,因此无法计算距离 Ra,且数据库中也没有可替代的溶解度实测数据。与其给出十一项毫无依据的评级,我们选择不显示。请依据安全数据表和实验数据选择溶剂。
📚 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 2116-84-9 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

检查1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane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)
1,1,1,5,5,5-Hexamethyl-3-Phenyl-3-(Trimethylsilyloxy)Trisiloxane• Phenyltris(trimethylsiloxy)silane / DC 556• IUPAC: trimethyl-[phenyl-bis(trimethylsilyloxy)silyl]oxysilane• CAS: 2116-84-9• EC: 218-320-6• 分子式: C15H32O3Si4• 摩尔质量: 372.75 g/mol危险GHS危险说明:(供应商自我分类——不具约束力)H315 H319 H330 H335P302+P352 P304+P340 P305+P351+P338 P332+P313 P337+P313 P310 P312P320 P280 P501 P403+P233 P405 P260 P264 P271 P284Nonsensia Ltd124-128 City Road, EC1V 2NX London[email protected]molgod.org批号: 净含量:
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标识

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数据

每个理化数值都标明其来源及该来源的查阅日期。任何一条都可以打开查看。

分类

如有统一分类条目,则以其为准并注明索引号。自我分类单独列出并加以标注。

法规

名录、限制、授权和候选清单状态均逐一列明。凡状态尚未确定之处,本页会如实说明 — 从不声明不适用任何限制。

文件

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供应商

谁在销售,以及其公开发布的自身信息。

本页内容均不构成认证。它是一份可供您审核的记录。

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The Gap Report Guarantee

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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Phenyl Trimethicone — CAS 2116-84-9. Prepared from the supplier’s public catalogue; not verified against their internal data.

📄 分析证书(CoA) CAS 2116-84-9 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
数据来自PubChem来源: PubChem (NIH)
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📚 参考文献(综合书目,芝加哥作者-日期格式) 77 条目

以上折叠面板中针对CAS号2116-84-9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 2116-84-9. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=2116-84-9.
  2. AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 2116-84-9. 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 2116-84-9. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=2116-84-9.

📐 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://openlibrary.org/isbn/9780471879558.
  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.

📄 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

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  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/.
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  27. International Air Transport Association. 2026. Dangerous Goods Regulations (DGR). 67th ed. Montreal: IATA. https://www.iata.org/en/programs/cargo/dgr/.
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  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
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📜 许可与来源
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
模型
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane · 2116-84-9
InChIKey
LINXHFKHZLOLEI-UHFFFAOYSA-N
许可协议
CC BY-SA 4.0 International
署名
MolGod Scientific — 1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9)
许可与来源记录
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane (CAS 2116-84-9) →
MolGod 分子记录
1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane →
源数据
PubChem CID 62427 ↗
模型信息
由 MolGod 生成的 STL · MolGod STL Exporter build 48804cd20b0d · 生成于 2026-10-14
SHA-256 (STL)
e02a633904def07fd35c8a8d633f0c89cc5ca292072104cdf5a17016cc86c7a5
MD5 (STL)
8c193e47dcd82afbfae684aeb9b7f698
MolGod Identification Number
MG_285-260-120-07
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MolGod Scientific 球棍模型网格
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