12-Methylbenzo[a]Pyrene
[CAS# 4514-19-6]

Identification

• Name: 12-Methylbenzo[a]Pyrene
• Synonyms: Ccris 2445; 12-Methylbenzo(A)Pyrene; 4-05-00-02695 (Beilstein Handbook Reference)
• Molecular Formula: C₂₁H₁₄
• Molecular Weight: 266.34
• CAS Registry Number: 4514-19-6
• SMILES: C1=C(C4=C3C2=C1C5=C(C=C2C=CC3=CC=C4)C=CC=C5)C
• InChI: 1S/C21H14/c1-13-11-19-18-7-3-2-5-15(18)12-16-10-9-14-6-4-8-17(13)20(14)21(16)19/h2-12H,1H3
• InChIKey: FLMPDOQIFWNZJZ-UHFFFAOYSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 479.361°C at 760 mmHg (Cal.)
• Flash point: 236.729°C (Cal.)