bis(acetyloxy)(methyl)silyl acetate

• ChemBase ID: 107078
• Molecular Formular: C7H12O6Si
• Molecular Mass: 220.25208
• Monoisotopic Mass: 220.04031464
• SMILES: CC(=O)O[Si](C)(OC(=O)C)OC(=O)C
• Canonical SMILES: CC(=O)O[Si](OC(=O)C)(OC(=O)C)C
• InChI: InChI=1S/C7H12O6Si/c1-5(8)11-14(4,12-6(2)9)13-7(3)10/h1-4H3
• InChIKey: TVJPBVNWVPUZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetyloxy)(methyl)silyl acetate
• IUPAC Traditional name: triacetoxy-methylsilane
• Synonyms: METHYLTRIACETOXYSILANE; Methyltriacetoxysilane; Triacetoxy(methyl)silane; 甲基三乙酰氧基硅烷; 三乙酰氧基甲基硅烷

Database IDs

• CAS Number: 4253-34-3
• EC Number: 224-221-9
• MDL Number: MFCD00008694
• Beilstein Number: 1788668
• PubChem SID: 162094576; 24885921; 24863030
• PubChem CID: 77929

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1134
• LogD (pH = 7.4): -0.1134
• Log P: -0.1134
• Molar Refractivity: 40.4736 cm^3
• Polarizability: 19.122925 Å^3
• Polar Surface Area: 78.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40-45 °C(lit.); 40-45°C
• Boiling Point: 87-88°C/3mm; 94-95 °C/9 mmHg(lit.)
• Flash Point: 183.2 °F; 84 °C; 85°C(185°F)
• Density: 1.175; 1.20 g/mL at 20 °C(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV4500000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN1759
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 20-26-36/37/39-45; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (GC); 90%; 96%
• Grade: technical; technical grade
• Linear Formula: (CH3CO2)3SiCH3

DETAILS

MP Biomedicals - 05202466

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 372358

Packaging
100 g in glass bottle