(acetyloxy)dimethylsilyl acetate

• ChemBase ID: 145948
• Molecular Formular: C6H12O4Si
• Molecular Mass: 176.24258
• Monoisotopic Mass: 176.0504854
• SMILES: CC(=O)O[Si](C)(C)OC(=O)C
• Canonical SMILES: CC(=O)O[Si](OC(=O)C)(C)C
• InChI: InChI=1S/C6H12O4Si/c1-5(7)9-11(3,4)10-6(2)8/h1-4H3
• InChIKey: RQVFGTYFBUVGOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)dimethylsilyl acetate
• IUPAC Traditional name: (acetyloxy)dimethylsilyl acetate
• Synonyms: Dimethyldiacetoxysilane; Diacetoxydimethylsilane; 二乙酰氧基二甲基硅烷; 二甲基二乙酰氧基硅烷

Database IDs

• CAS Number: 2182-66-3
• EC Number: 218-562-2
• MDL Number: MFCD00039832
• Beilstein Number: 1769843
• PubChem SID: 162240148; 24866968
• PubChem CID: 75130

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.193
• LogD (pH = 7.4): -0.193
• Log P: -0.193
• Molar Refractivity: 35.3236 cm^3
• Polarizability: 16.372599 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -12.5 °C(lit.)
• Boiling Point: 163 °C(lit.)
• Flash Point: 156.2 °F; 69 °C
• Density: 1.054 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.403(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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: 98%
• Linear Formula: (CH3CO2)2Si(CH3)2

DETAILS

Sigma Aldrich - 431117

Packaging
25 mL in Sure/Seal™