(1aS)-1a,10,11,11a-Tetrahydrotetrapheno[3,4-b]oxirene
[CAS# 89618-18-8]

Identification

• Name: (1aS)-1a,10,11,11a-Tetrahydrotetrapheno[3,4-b]oxirene
• Synonyms: (-)-(3R,4S)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene; Benz(a)anthracene, 1,2,3,4-tetrahydro-3-β,4-β-epoxy-, (-)-; BRN 6686368
• Molecular Formula: C₁₈H₁₄O
• Molecular Weight: 246.30
• CAS Registry Number: 89618-18-8
• SMILES: O2[C@H]3c1ccc5c(c1CCC23)cc4ccccc4c5
• InChI: 1S/C18H14O/c1-2-4-12-10-16-13(9-11(12)3-1)5-6-15-14(16)7-8-17-18(15)19-17/h1-6,9-10,17-18H,7-8H2/t17?,18-/m0/s1
• InChIKey: GUFITYJDZKTZBJ-ZVAWYAOSSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 460.261°C at 760 mmHg (Cal.)
• Flash point: 219.151°C (Cal.)