3-[(tert-butyldimethylsilyl)oxy]propan-1-ol

• ChemBase ID: 144777
• Molecular Formular: C9H22O2Si
• Molecular Mass: 190.35528
• Monoisotopic Mass: 190.13890648
• SMILES: CC(C)(C)[Si](C)(C)OCCCO
• Canonical SMILES: OCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C9H22O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h10H,6-8H2,1-5H3
• InChIKey: NETUFVYVNJNFMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(tert-butyldimethylsilyl)oxy]propan-1-ol
• IUPAC Traditional name: 3-[(tert-butyldimethylsilyl)oxy]propan-1-ol
• Synonyms: 3-((tert-Butyldimethylsilyl)oxy)-propanol; 3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-propanol; 3-(tert-Butyldimethylsilanyloxy)propan-1-ol; 3-[(tert-Butyldimethylsilyl)oxy]-1-propanol; 3-((叔丁基二甲基甲硅烷基)氧)-丙醇

Database IDs

• CAS Number: 73842-99-6
• MDL Number: MFCD00187968
• PubChem SID: 162238989; 24879500
• PubChem CID: 4077791

CALCULATED PROPERTIES

• Acid pKa: 15.901508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6072
• LogD (pH = 7.4): 1.6072
• Log P: 1.6072
• Molar Refractivity: 49.2671 cm^3
• Polarizability: 21.550045 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Hexane; Methanol
• Apperance: Clear Colourless Liquid
• Boiling Point: 110 °C/6 mmHg(lit.)
• Flash Point: 197.6 °F; 92 °C
• Density: 0.892 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4350(lit.)

Safety Information

• Storage Condition: Refrigerator
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%
• Linear Formula: (CH3)3CSi(CH3)2OCH2CH2CH2OH

DETAILS

Sigma Aldrich - 555886

Packaging
5, 25 mL in glass bottle