bis(4-methylphenyl)methanol

• ChemBase ID: 52107
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: C(c1ccc(cc1)C)(c1ccc(cc1)C)O
• Canonical SMILES: OC(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C15H16O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3
• InChIKey: RGYZQSCFKFDECZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methylphenyl)methanol
• IUPAC Traditional name: bis(4-methylphenyl)methanol
• Synonyms: 4,4'-Dimethylbenzhydrol; Bis(p-tolyl) carbinol; 4,4'-Dimethyldiphenylmethanol; 4,4'-Dimethylbenzhydrol; 4,4'-二甲基二苯基甲醇

Database IDs

• CAS Number: 885-77-8
• MDL Number: MFCD00017216
• Beilstein Number: 1874128
• PubChem SID: 162056870
• PubChem CID: 279356

CALCULATED PROPERTIES

• Acid pKa: 13.808389
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.016979
• LogD (pH = 7.4): 4.0169787
• Log P: 4.016979
• Molar Refractivity: 67.2391 cm^3
• Polarizability: 25.95596 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-71°C; 69-73°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 98%