2-Acetoxy-3-Methylcholanthrene
[CAS# 7390-93-4]

Identification

• Name: 2-Acetoxy-3-Methylcholanthrene
• Synonyms: 3-Methylbenz(J)Aceanthrylen-2-Ol Acetate; Brn 2303621; Benz(J)Aceanthrylen-2-Ol, 1,2-Dihydro-3-Methyl-, Acetate
• Molecular Formula: C₂₃H₁₈O₂
• Molecular Weight: 326.39
• CAS Registry Number: 7390-93-4
• SMILES: C1=C(C5=C4C(=C1)C=C3C2=CC=CC=C2C=CC3=C4CC5OC(C)=O)C
• InChI: 1S/C23H18O2/c1-13-7-8-16-11-19-17-6-4-3-5-15(17)9-10-18(19)20-12-21(25-14(2)24)22(13)23(16)20/h3-11,21H,12H2,1-2H3
• InChIKey: DTDNHCYJVIUBGT-UHFFFAOYSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 547.423°C at 760 mmHg (Cal.)
• Flash point: 282.711°C (Cal.)