(12-Methyl-7-Tetraphenyl)Methyl Benzoate
[CAS# 31012-29-0]

Identification

• Name: (12-Methyl-7-Tetraphenyl)Methyl Benzoate
• Synonyms: 12-Methylbenz(a)anthracene-7-methanol benzoate (ester); 7-Benzoyloxymethyl-12-methylbenz(a)anthracene; Benz(a)anthracene-7-methanol, 12-methyl-, benzoate
• Molecular Formula: C₂₇H₂₀O₂
• Molecular Weight: 376.45
• CAS Registry Number: 31012-29-0
• SMILES: O=C(OCc3c4c(c(c2c1ccccc1ccc23)C)cccc4)c5ccccc5
• InChI: 1S/C27H20O2/c1-18-21-12-7-8-14-23(21)25(17-29-27(28)20-10-3-2-4-11-20)24-16-15-19-9-5-6-13-22(19)26(18)24/h2-16H,17H2,1H3
• InChIKey: MXZZITVTYIZHJN-UHFFFAOYSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 595.094°C at 760 mmHg (Cal.)
• Flash point: 251.716°C (Cal.)