3-(trimethylsilyl)propan-1-ol

• ChemBase ID: 147447
• Molecular Formular: C6H16OSi
• Molecular Mass: 132.27614
• Monoisotopic Mass: 132.09704166
• SMILES: C[Si](C)(C)CCCO
• Canonical SMILES: OCCC[Si](C)(C)C
• InChI: InChI=1S/C6H16OSi/c1-8(2,3)6-4-5-7/h7H,4-6H2,1-3H3
• InChIKey: YNUUCDHAZGAVEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trimethylsilyl)propan-1-ol
• IUPAC Traditional name: propanol-trimethyl silane
• Synonyms: 3-(Trimethylsilyl)-1-propanol; 3-(三甲硅基)-1-丙醇

Database IDs

• CAS Number: 2917-47-7
• MDL Number: MFCD00009712
• PubChem SID: 162241635; 24854012
• PubChem CID: 76213

CALCULATED PROPERTIES

• Acid pKa: 15.985234
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4735
• LogD (pH = 7.4): 1.4735
• Log P: 1.4735
• Molar Refractivity: 33.4033 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: 111-112 °C/96 mmHg(lit.)
• Flash Point: 127.4 °F; 53 °C
• Density: 0.832 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)

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: 97%
• Linear Formula: (CH3)3Si(CH2)3OH

DETAILS

Sigma Aldrich - 233803

Packaging
5 g in glass bottle