6-Benzoyloxymethylbenzo(a)Pyrene
[CAS# 42978-42-7]

Identification

• Name: 6-Benzoyloxymethylbenzo(a)Pyrene
• Synonyms: Benzoic Acid 6-Benzo[B]Pyrenylmethyl Ester; Benzoic Acid Benzo[B]Pyren-6-Ylmethyl Ester; 6-Benzoyloxymethylbenzo(A)Pyrene
• Molecular Formula: C₂₈H₁₈O₂
• Molecular Weight: 386.45
• CAS Registry Number: 42978-42-7
• SMILES: C2=CC1=CC=CC6=C1C3=C(C5=C(C(=C23)COC(C4=CC=CC=C4)=O)C=CC=C5)C=C6
• InChI: 1S/C28H18O2/c29-28(20-7-2-1-3-8-20)30-17-25-22-12-5-4-11-21(22)23-15-13-18-9-6-10-19-14-16-24(25)27(23)26(18)19/h1-16H,17H2
• InChIKey: MEGZLHDPOVJNPI-UHFFFAOYSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 609.517°C at 760 mmHg (Cal.)
• Flash point: 260.246°C (Cal.)