1-(trimethylsilyl)ethan-1-one

• ChemBase ID: 140070
• Molecular Formular: C5H12OSi
• Molecular Mass: 116.23368
• Monoisotopic Mass: 116.06574154
• SMILES: CC(=O)[Si](C)(C)C
• Canonical SMILES: CC(=O)[Si](C)(C)C
• InChI: InChI=1S/C5H12OSi/c1-5(6)7(2,3)4/h1-4H3
• InChIKey: REDWSDBFBCDPNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trimethylsilyl)ethan-1-one
• IUPAC Traditional name: 1-(trimethylsilyl)ethanone
• Synonyms: 1-(Trimethylsilyl)ethanone; Acetyltrimethylsilane; 1-(三甲基甲硅烷基)乙酮; 乙酰基三甲基硅烷

Database IDs

• CAS Number: 13411-48-8
• MDL Number: MFCD00134244
• Beilstein Number: 2071361
• PubChem SID: 162234314; 24862334
• PubChem CID: 638116

CALCULATED PROPERTIES

• Acid pKa: 19.907658
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7011
• LogD (pH = 7.4): 1.7011
• Log P: 1.7011
• Molar Refractivity: 27.0132 cm^3
• Polarizability: 12.944165 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 46.4 °F; 8 °C
• Density: 0.811 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.411(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-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 1993 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Linear Formula: (CH3)3SiCOCH3

DETAILS

Sigma Aldrich - 362824

Packaging
5, 25 g in glass bottle