Methylcholanthrene-9,10-Dihydrodiol
[CAS# 67481-32-7]

Identification

• Name: Methylcholanthrene-9,10-Dihydrodiol
• Synonyms: Methylcholanthrene-9,10-Dihydrodiol; Trans-9,10-Dihydroxy-9,10-Dihydromethylcholanthrene; Benz(J)Aceanthrylene-9,10-Diol, 1,2,9,10-Tetrahydro-3-Methyl-, Trans-
• Molecular Formula: C₂₁H₁₈O₂
• Molecular Weight: 302.37
• CAS Registry Number: 67481-32-7
• SMILES: C1=C5C4=C(C3=C1C2=C(C(O)C(C=C2)O)C=C3)CCC4=C(C=C5)C
• InChI: 1S/C21H18O2/c1-11-2-3-12-10-18-14(16-6-4-13(11)20(12)16)5-7-17-15(18)8-9-19(22)21(17)23/h2-3,5,7-10,19,21-23H,4,6H2,1H3
• InChIKey: PIBRCTWMTUMMPZ-UHFFFAOYSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 588.565°C at 760 mmHg (Cal.)
• Flash point: 282.083°C (Cal.)