(trimethylsilyl)methanol

• ChemBase ID: 146729
• Molecular Formular: C4H12OSi
• Molecular Mass: 104.22298
• Monoisotopic Mass: 104.06574154
• SMILES: C[Si](C)(C)CO
• Canonical SMILES: OC[Si](C)(C)C
• InChI: InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3
• InChIKey: ZQKNBDOVPOZPLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (trimethylsilyl)methanol
• IUPAC Traditional name: (trimethylsilyl)methanol
• Synonyms: (Hydroxymethyl)trimethylsilane; (Trimethylsilyl)methanol; 1-Trimethylsilylmethanol; (羟甲基)三甲基硅烷; (三甲基硅基)甲醇; 1-三甲基甲硅烷基甲醇

Database IDs

• CAS Number: 3219-63-4
• EC Number: 221-746-5
• MDL Number: MFCD00004596
• Beilstein Number: 1731486
• PubChem SID: 24858419; 24889720; 162240921
• PubChem CID: 76692

CALCULATED PROPERTIES

• Acid pKa: 15.142904
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6103
• LogD (pH = 7.4): 1.6103
• Log P: 1.6103
• Molar Refractivity: 23.6326 cm^3
• Polarizability: 11.650152 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-122 °C/754 mmHg(lit.); 121-122°C
• Flash Point: 132.8 °F; 31°C(87°F); 56 °C
• Density: 0.826 g/mL at 25 °C(lit.); 0.827
• Refractive Index: 1.4190; n20/D 1.419; n20/D 1.419(lit.)

Safety Information

• RTECS: PC4100000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1987; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10; 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A; 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; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1987 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (GC); 98%; 98+%
• Grade: purum
• Linear Formula: (CH3)3SiCH2OH

DETAILS

Sigma Aldrich - 305294

Packaging
5 g in glass bottle

Sigma Aldrich - 92766

Other Notes
Starting material for the synthesis of trimethylsilylmethyl triflate1,2; nucleophilic hydroxymethylation with the corresponding lithium carbonate3; oxidation to the aldehyde and addition reactions4