1-Acetoxy-3-Methylcholanthrene
[CAS# 7319-59-7]

Identification

• Name: 1-Acetoxy-3-Methylcholanthrene
• Synonyms: 1-Acetoxy-3-Methylcholanthrene; Brn 2301092; Benz(J)Aceanthrylen-1-Ol, 1,2-Dihydro-3-Methyl-, Acetate
• Molecular Formula: C₂₃H₁₈O₂
• Molecular Weight: 326.39
• CAS Registry Number: 7319-59-7
• SMILES: C1=C(C5=C4C(=C1)C=C3C2=CC=CC=C2C=CC3=C4C(C5)OC(C)=O)C
• InChI: 1S/C23H18O2/c1-13-7-8-16-11-20-17-6-4-3-5-15(17)9-10-18(20)23-21(25-14(2)24)12-19(13)22(16)23/h3-11,21H,12H2,1-2H3
• InChIKey: UGVFJOXVUQBGQH-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 545.646°C at 760 mmHg (Cal.)
• Flash point: 281.599°C (Cal.)