1,2-Dihydroxy-Epoxy-1,2,3,4-Tetrahydro-5-Methylchrysene
[CAS# 81851-68-5]

Identification

• Name: 1,2-Dihydroxy-Epoxy-1,2,3,4-Tetrahydro-5-Methylchrysene
• Synonyms: Anti-5-Methylchrysene-1,2-Diol-3,4-Epoxide; Trans-1,2-Dihydroxy-Syn-3,4-Epoxy-1,2,3,4-Tetrahydro-5-Methylchrysene; (1Alpha,2Beta,2Aalpha,3Aalpha)-1,2,2A,3A-Tetrahydro-4-Methylchryseno(3,4-B)Oxirene-1,2-Diol
• Molecular Formula: C₁₉H₁₆O₃
• Molecular Weight: 292.33
• CAS Registry Number: 81851-68-5
• SMILES: [C@H]4([C@H](C3=C(C2=C(C1=CC=CC=C1C=C2C)C=C3)C5[C@@H]4O5)O)O
• InChI: 1S/C19H16O3/c1-9-8-10-4-2-3-5-11(10)12-6-7-13-15(14(9)12)18-19(22-18)17(21)16(13)20/h2-8,16-21H,1H3/t16-,17+,18?,19+/m0/s1
• InChIKey: ZSDQORKDUNMTQA-GISIPNDBSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 573.381°C at 760 mmHg (Cal.)
• Flash point: 300.57°C (Cal.)