bis(acetyloxy)(ethyl)silyl acetate

• ChemBase ID: 137847
• Molecular Formular: C8H14O6Si
• Molecular Mass: 234.27866
• Monoisotopic Mass: 234.0559647
• SMILES: CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C
• Canonical SMILES: CC[Si](OC(=O)C)(OC(=O)C)OC(=O)C
• InChI: InChI=1S/C8H14O6Si/c1-5-15(12-6(2)9,13-7(3)10)14-8(4)11/h5H2,1-4H3
• InChIKey: KXJLGCBCRCSXQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)(ethyl)silyl acetate
• IUPAC Traditional name: bis(acetyloxy)(ethyl)silyl acetate
• Synonyms: Triacetoxy(ethyl)silane; Ethyltriacetoxysilane; Ethyltriacetoxysilane; Ethyltriacetoxysilane; Triacetoxy(ethyl)silane; 三乙酰氧基乙基硅烷; 乙基三乙酰氧基硅烷; 三乙酰氧基乙基硅烷

Database IDs

• CAS Number: 17689-77-9
• EC Number: 241-677-4
• MDL Number: MFCD00053703
• Beilstein Number: 1795013
• PubChem SID: 162232108; 24868098
• PubChem CID: 87244

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1987
• LogD (pH = 7.4): 0.1987
• Log P: 0.1987
• Molar Refractivity: 45.346 cm^3
• Polarizability: 20.928453 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 7-9°C
• Boiling Point: 97-99°C/4mm; 98 °C/4 mmHg(lit.)
• Flash Point: 106 °C; 106°C(224°F); 222.8 °F
• Density: 1.14 g/mL at 25 °C(lit.); 1.140
• Refractive Index: 1.4130; n20/D 1.411(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 95%; 96%
• Linear Formula: (CH3CO2)3SiC2H5