1,2-Dihydro-3-Methyl-Benz[J]Aceanthrylen-1-Ol
[CAS# 3342-98-1]

Identification

• Name: 1,2-Dihydro-3-Methyl-Benz[J]Aceanthrylen-1-Ol
• Synonyms: 1,2-Dihydro-3-Methylbenz(J)Aceanthrylen- 1-Ol; 1-Cholanthrenol, 3-Methyl-; 1-Hydroxy-3-Methylcholanthrene
• Molecular Formula: C₂₁H₁₆O
• Molecular Weight: 284.36
• CAS Registry Number: 3342-98-1
• SMILES: C1=CC5=C(C3=C1C4=C2C(=C(C)C=CC2=C3)CC4O)C=CC=C5
• InChI: 1S/C21H16O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10,19,22H,11H2,1H3
• InChIKey: CHNZFZQGTXDBFI-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 561.79°C at 760 mmHg (Cal.)
• Flash point: 206.814°C (Cal.)