trimethylsilyl 2-[(trimethylsilyl)oxy]acetate

• ChemBase ID: 146763
• Molecular Formular: C8H20O3Si2
• Molecular Mass: 220.4136
• Monoisotopic Mass: 220.09509756
• SMILES: C[Si](C)(C)OCC(=O)O[Si](C)(C)C
• Canonical SMILES: O=C(O[Si](C)(C)C)CO[Si](C)(C)C
• InChI: InChI=1S/C8H20O3Si2/c1-12(2,3)10-7-8(9)11-13(4,5)6/h7H2,1-6H3
• InChIKey: MAEQOWMWOCEXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl 2-[(trimethylsilyl)oxy]acetate
• IUPAC Traditional name: trimethylsilyl 2-[(trimethylsilyl)oxy]acetate
• Synonyms: Trimethylsilyl trimethylsiloxyacetate; 三甲基硅基三甲硅氧基醋酸酯

Database IDs

• CAS Number: 33581-77-0
• EC Number: 251-580-9
• MDL Number: MFCD00009840
• Beilstein Number: 2045011
• PubChem SID: 162240955; 24856691
• PubChem CID: 118503

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6013
• LogD (pH = 7.4): 2.6013
• Log P: 2.6013
• Molar Refractivity: 46.8845 cm^3
• Polarizability: 22.826172 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 35 °C; 95 °F
• Density: 0.903 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.411(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 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: 99%
• Linear Formula: (CH3)3SiOCH2CO2Si(CH3)3

DETAILS

Sigma Aldrich - 276189

Packaging
25 g in glass bottle