4-Methyl-Cholanthrene
[CAS# 17012-89-4]

Identification

• Name: 4-Methyl-Cholanthrene
• Synonyms: 22-Methylcholanthrene; 3-05-00-02487 (Beilstein Handbook Reference); 4-Methylcholanthrene
• Molecular Formula: C₂₁H₁₆
• Molecular Weight: 268.36
• CAS Registry Number: 17012-89-4
• SMILES: C3=C(C=C4C=C2C1=CC=CC=C1C=CC2=C5CCC3=C45)C
• InChI: 1S/C21H16/c1-13-10-15-7-9-19-18-8-6-14-4-2-3-5-17(14)20(18)12-16(11-13)21(15)19/h2-6,8,10-12H,7,9H2,1H3
• InChIKey: DYGZCALVTOKEJQ-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 503.365°C at 760 mmHg (Cal.)
• Flash point: 251.388°C (Cal.)