(12-Methylbenzo[b]Phenanthren-7-Yl)Methyl Acetate
[CAS# 2517-98-8]

Identification

• Name: (12-Methylbenzo[b]Phenanthren-7-Yl)Methyl Acetate
• Synonyms: Acetic Acid (12-Methyl-7-Benzo[B]Phenanthrenyl)Methyl Ester; Acetic Acid (12-Methylbenzo[B]Phenanthren-7-Yl)Methyl Ester; (12-Methylbenzo[B]Phenanthren-7-Yl)Methyl Ethanoate
• Molecular Formula: C₂₂H₁₈O₂
• Molecular Weight: 314.38
• CAS Registry Number: 2517-98-8
• SMILES: C2=CC4=C(C3=C(C1=CC=CC=C1C(=C23)COC(=O)C)C)C=CC=C4
• InChI: 1S/C22H18O2/c1-14-17-8-5-6-10-19(17)21(13-24-15(2)23)20-12-11-16-7-3-4-9-18(16)22(14)20/h3-12H,13H2,1-2H3
• InChIKey: QZBZIXDRHVAJSX-UHFFFAOYSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 512.401°C at 760 mmHg (Cal.)
• Flash point: 201.673°C (Cal.)