1-(4-phenylphenyl)ethan-1-ol

• ChemBase ID: 149973
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: CC(c1ccc(cc1)c1ccccc1)O
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)O
• InChI: InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3
• InChIKey: GOISDOCZKZYADO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenylphenyl)ethan-1-ol
• IUPAC Traditional name: 1-(4-phenylphenyl)ethanol
• Synonyms: 4-Biphenylyl methyl carbinol; 4-(1-Hydroxyethyl)biphenyl; 1-(4-Biphenylyl)ethanol; 1-(4-Biphenylyl)-1-ethanol; 1-(4-联联苯基)乙醇; 1-(4-联苯基)-1-乙醇

Database IDs

• CAS Number: 3562-73-0
• EC Number: 222-629-1
• MDL Number: MFCD00016859
• Beilstein Number: 2044710
• PubChem SID: 24848192; 162244135
• PubChem CID: 96176

CALCULATED PROPERTIES

• Acid pKa: 14.788361
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2696965
• LogD (pH = 7.4): 3.2696965
• Log P: 3.2696965
• Molar Refractivity: 62.4289 cm^3
• Polarizability: 25.714964 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-99°C; 95-97 °C(lit.)

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: 97%; 98%
• Linear Formula: C6H5C6H4CH(OH)CH3

DETAILS

Sigma Aldrich - 135003

Packaging
2, 10 g in glass bottle