methyl 2-(trimethylsilyl)acetate

• ChemBase ID: 147132
• Molecular Formular: C6H14O2Si
• Molecular Mass: 146.25966
• Monoisotopic Mass: 146.07630622
• SMILES: COC(=O)C[Si](C)(C)C
• Canonical SMILES: COC(=O)C[Si](C)(C)C
• InChI: InChI=1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3
• InChIKey: JIHUZDFFYVRXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(trimethylsilyl)acetate
• IUPAC Traditional name: methyl 2-(trimethylsilyl)acetate
• Synonyms: Methyl trimethylsilylacetate; 三甲基硅基乙酸甲酯

Database IDs

• CAS Number: 2916-76-9
• EC Number: 220-845-0
• MDL Number: MFCD00008450
• Beilstein Number: 1098961
• PubChem SID: 162241323; 24854069
• PubChem CID: 76210

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.523
• LogD (pH = 7.4): 1.523
• Log P: 1.523
• Molar Refractivity: 33.1977 cm^3
• Polarizability: 15.493632 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 38-39 °C/13 mmHg(lit.)
• Flash Point: 33 °C; 91.4 °F
• Density: 0.891 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.414(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: (CH3)3SiCH2CO2CH3

DETAILS

Sigma Aldrich - 234966

Packaging
5, 25 g in glass bottle