4-[(tert-butyldimethylsilyl)oxy]butan-1-ol

• ChemBase ID: 151870
• Molecular Formular: C10H24O2Si
• Molecular Mass: 204.38186
• Monoisotopic Mass: 204.15455654
• SMILES: CC(C)(C)[Si](C)(C)OCCCCO
• Canonical SMILES: OCCCCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C10H24O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h11H,6-9H2,1-5H3
• InChIKey: IJEMXJANZPVITP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(tert-butyldimethylsilyl)oxy]butan-1-ol
• IUPAC Traditional name: 4-[(tert-butyldimethylsilyl)oxy]butan-1-ol
• Synonyms: 4-(tert-Butyldimethylsilyl)oxy-1-butanol; 4-(叔丁基二甲基甲硅烷基)氧代-1-丁醇

Database IDs

• CAS Number: 87184-99-4
• MDL Number: MFCD04974070
• PubChem SID: 162246016; 24880450
• PubChem CID: 186403

CALCULATED PROPERTIES

• Acid pKa: 15.970797
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0585
• LogD (pH = 7.4): 2.0585
• Log P: 2.0585
• Molar Refractivity: 53.9117 cm^3
• Polarizability: 23.390564 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 63-66 °C/0.3 mmHg(lit.)
• Flash Point: 105 °C; 221 °F
• Density: 0.888 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4390(lit.)

Safety Information

• 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)2O(CH2)4OH

DETAILS

Sigma Aldrich - 568589

Packaging
5, 25 g in glass bottle