trimethylsilyl 2-(trimethylsilyl)acetate

• ChemBase ID: 146226
• Molecular Formular: C8H20O2Si2
• Molecular Mass: 204.4142
• Monoisotopic Mass: 204.10018294
• SMILES: C[Si](C)(C)CC(=O)O[Si](C)(C)C
• Canonical SMILES: O=C(O[Si](C)(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C8H20O2Si2/c1-11(2,3)7-8(9)10-12(4,5)6/h7H2,1-6H3
• InChIKey: LJHDMLCJRMZKGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl 2-(trimethylsilyl)acetate
• IUPAC Traditional name: trimethylsilyl 2-(trimethylsilyl)acetate
• Synonyms: Trimethylsilyl (trimethylsilyl)acetate; 三甲基硅乙酸三甲基硅酯

Database IDs

• CAS Number: 24082-11-9
• MDL Number: MFCD01632574
• PubChem SID: 162240425; 24867349
• PubChem CID: 2733573

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9808
• LogD (pH = 7.4): 2.9808
• Log P: 2.9808
• Molar Refractivity: 44.8413 cm^3
• Polarizability: 22.104815 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61 °C/10 mmHg(lit.)
• Flash Point: 118.4 °F; 48 °C
• Density: 0.867 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.417(lit.)

Safety Information

• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16-36
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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)3SiCH2CO2Si(CH3)3

DETAILS

Sigma Aldrich - 437131

Packaging
5 g in glass bottle