4-[(tert-butyldimethylsilyl)oxy]phenol

• ChemBase ID: 141927
• Molecular Formular: C12H20O2Si
• Molecular Mass: 224.3715
• Monoisotopic Mass: 224.12325641
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(cc1)O
• Canonical SMILES: CC([Si](Oc1ccc(cc1)O)(C)C)(C)C
• InChI: InChI=1S/C12H20O2Si/c1-12(2,3)15(4,5)14-11-8-6-10(13)7-9-11/h6-9,13H,1-5H3
• InChIKey: KZTVHIZALLBXMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(tert-butyldimethylsilyl)oxy]phenol
• IUPAC Traditional name: 4-[(tert-butyldimethylsilyl)oxy]phenol
• Synonyms: 4-(tert-Butyldimethylsiloxy)phenol; 4-(叔丁基二甲基硅氧基)苯酚

Database IDs

• CAS Number: 108534-47-0
• MDL Number: MFCD06200713
• PubChem SID: 24882836; 162236160
• PubChem CID: 597388

CALCULATED PROPERTIES

• Acid pKa: 10.0219755
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.695487
• LogD (pH = 7.4): 3.6944668
• Log P: 3.6955
• Molar Refractivity: 59.8679 cm^3
• Polarizability: 25.590925 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-64 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H20O2Si

DETAILS

Sigma Aldrich - 637181

Packaging
1, 5 g in glass bottle