(2-phenylphenyl)methanol

• ChemBase ID: 151233
• Molecular Formular: C13H12O
• Molecular Mass: 184.23378
• Monoisotopic Mass: 184.088815
• SMILES: c1ccc(cc1)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1c1ccccc1
• InChI: InChI=1S/C13H12O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2
• InChIKey: VKTQADPEPIVMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylphenyl)methanol
• IUPAC Traditional name: (2-phenylphenyl)methanol
• Synonyms: 2-Phenylbenzyl alcohol; 2-Biphenylmethanol; 2-(Hydroxymethyl)biphenyl; 2-苯基苄醇; 2-联苯基甲醇

Database IDs

• CAS Number: 2928-43-0
• EC Number: 220-892-7
• MDL Number: MFCD00004620
• Beilstein Number: 1866883
• PubChem SID: 162245389; 24851322
• PubChem CID: 76229

CALCULATED PROPERTIES

• Acid pKa: 15.145837
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8531215
• LogD (pH = 7.4): 2.8531215
• Log P: 2.8531215
• Molar Refractivity: 58.0101 cm^3
• Polarizability: 23.871178 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-48 °C(lit.); 47-51°C
• Boiling Point: 96 °C/0.04 mmHg(lit.); 96°C/0.04mm
• Flash Point: >113 °C; >235.4 °F

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Linear Formula: C6H5C6H4CH2OH

DETAILS

Sigma Aldrich - 188824

Packaging
1, 10 g in glass bottle