11-Hydroxymethylbenzo[a]Pyrene
[CAS# 94500-53-5]

Identification

• Name: 11-Hydroxymethylbenzo[a]Pyrene
• Synonyms: 11-Benzo[B]Pyrenylmethanol; 11-Hydroxymethylbenzo(A)Pyrene; Ccris 5475
• Molecular Formula: C₂₁H₁₄O
• Molecular Weight: 282.34
• CAS Registry Number: 94500-53-5
• SMILES: C1=C3C=CC4=CC=CC5=CC(=C(C2=CC=CC=C12)C3=C45)CO
• InChI: 1S/C21H14O/c22-12-17-11-15-6-3-5-13-8-9-16-10-14-4-1-2-7-18(14)20(17)21(16)19(13)15/h1-11,22H,12H2
• InChIKey: PJBXZHYQBHKPGT-UHFFFAOYSA-N

Properties

• Density: 1.345g/cm³ (Cal.)
• Boiling point: 542.363°C at 760 mmHg (Cal.)
• Flash point: 235.868°C (Cal.)