[2-(2-phenylethyl)phenyl]methanol

• ChemBase ID: 146123
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: c1ccc(cc1)CCc1ccccc1CO
• Canonical SMILES: OCc1ccccc1CCc1ccccc1
• InChI: InChI=1S/C15H16O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2
• InChIKey: CPZRYQJPVUJHOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-phenylethyl)phenyl]methanol
• IUPAC Traditional name: [2-(2-phenylethyl)phenyl]methanol
• Synonyms: 2-Phenethylbenzyl alcohol; 2-苯乙基苯甲醇

Database IDs

• CAS Number: 835-78-9
• EC Number: 212-644-1
• MDL Number: MFCD00004628
• PubChem SID: 24851130; 162240322
• PubChem CID: 70040

CALCULATED PROPERTIES

• Acid pKa: 15.021126
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7422588
• LogD (pH = 7.4): 3.7422588
• Log P: 3.7422588
• Molar Refractivity: 67.2121 cm^3
• Polarizability: 25.963037 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56-59 °C(lit.)

Safety Information

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

Product Information

• Purity: 98%
• Linear Formula: C6H5CH2CH2C6H4CH2OH

DETAILS

Sigma Aldrich - 184780

Packaging
1 g in glass bottle