tris(4-methylphenyl)methanol

• ChemBase ID: 301910
• Molecular Formular: C22H22O
• Molecular Mass: 302.40948
• Monoisotopic Mass: 302.16706532
• SMILES: Cc1ccc(cc1)C(c1ccc(cc1)C)(c1ccc(cc1)C)O
• Canonical SMILES: OC(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C22H22O/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
• InChIKey: DNWQXZDDISHGRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methylphenyl)methanol
• IUPAC Traditional name: tris(4-methylphenyl)methanol
• Synonyms: Tri(p-tolyl) carbinol; Tri(p-tolyl)methanol; 4,4',4''-Trimethyltrityl alcohol; 4,4',4'-三甲基苯甲醇

Database IDs

• CAS Number: 3247-00-5
• EC Number: 221-822-8
• MDL Number: MFCD00014919
• Beilstein Number: 2055803

CALCULATED PROPERTIES

• Acid pKa: 12.812409
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.1786423
• LogD (pH = 7.4): 6.1786404
• Log P: 6.1786423
• Molar Refractivity: 98.4351 cm^3
• Polarizability: 37.354473 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 92-96°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%