1-Benzo[b]Pyren-6-Ylethanol
[CAS# 36271-80-4]

Identification

• Name: 1-Benzo[b]Pyren-6-Ylethanol
• Synonyms: 1-(6-Benzo[B]Pyrenyl)Ethanol; 3-06-00-03816 (Beilstein Handbook Reference); Brn 3368999
• Molecular Formula: C₂₂H₁₆O
• Molecular Weight: 296.37
• CAS Registry Number: 36271-80-4
• SMILES: C2=CC4=CC=CC5=CC=C3C1=CC=CC=C1C(=C2C3=C45)C(O)C
• InChI: 1S/C22H16O/c1-13(23)20-17-8-3-2-7-16(17)18-11-9-14-5-4-6-15-10-12-19(20)22(18)21(14)15/h2-13,23H,1H3
• InChIKey: PUSCZGPNNARBNH-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 534.729°C at 760 mmHg (Cal.)
• Flash point: 225.369°C (Cal.)