triethylsilanol

• ChemBase ID: 149324
• Molecular Formular: C6H16OSi
• Molecular Mass: 132.27614
• Monoisotopic Mass: 132.09704166
• SMILES: CC[Si](CC)(CC)O
• Canonical SMILES: CC[Si](CC)(CC)O
• InChI: InChI=1S/C6H16OSi/c1-4-8(7,5-2)6-3/h7H,4-6H2,1-3H3
• InChIKey: WVMSIBFANXCZKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethylsilanol
• IUPAC Traditional name: triethyl hydroxy silicon
• Synonyms: Triethylsilanol; 三乙基硅烷醇

Database IDs

• CAS Number: 597-52-4
• EC Number: 209-903-6
• MDL Number: MFCD00042640
• Beilstein Number: 1732848
• PubChem SID: 24889382; 162243492; 24863741
• PubChem CID: 69005

CALCULATED PROPERTIES

• Acid pKa: 12.735245
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7639999
• LogD (pH = 7.4): 1.763998
• Log P: 1.764
• Molar Refractivity: 34.0673 cm^3
• Polarizability: 15.331136 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 154°C; 158 °C(lit.); 86-87 °C/33 mmHg(lit.)
• Flash Point: 134.6 °F; 57 °C; 57°C(135°F)
• Density: 0.860; 0.864 g/mL at 25 °C(lit.)
• Refractive Index: 1.4330; n20/D 1.433(lit.); n20/D 1.434

Safety Information

• UN Number: 1987; UN1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, 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: ≥98.0% (GC); 97%
• Grade: purum
• Linear Formula: (C2H5)3SiOH

DETAILS

Sigma Aldrich - 380423

Packaging
5 mL in glass bottle

Sigma Aldrich - 90560

Other Notes
Starting material for the preparation of triethylsilyl N,N,N′,N′-tetramethyl phosphorodiamidite1