1-(trimethylsilyl)ethan-1-ol

• ChemBase ID: 137848
• Molecular Formular: C5H14OSi
• Molecular Mass: 118.24956
• Monoisotopic Mass: 118.0813916
• SMILES: CC(O)[Si](C)(C)C
• Canonical SMILES: CC([Si](C)(C)C)O
• InChI: InChI=1S/C5H14OSi/c1-5(6)7(2,3)4/h5-6H,1-4H3
• InChIKey: ZLTWIJREHQCJJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trimethylsilyl)ethan-1-ol
• IUPAC Traditional name: 1-(trimethylsilyl)ethanol
• Synonyms: 1-(Trimethylsilyl)ethanol; 1-(三甲基硅基)乙醇

Database IDs

• CAS Number: 13246-39-4
• MDL Number: MFCD00134277
• PubChem SID: 162232109
• PubChem CID: 12447898

CALCULATED PROPERTIES

• Acid pKa: 15.07194
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6053
• LogD (pH = 7.4): 1.6053
• Log P: 1.6053
• Molar Refractivity: 28.3815 cm^3
• Polarizability: 13.48985 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 27 °C; 80.6 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1987
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• 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 1987 3/PG 3

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C5H14OSi