Methyl 6-(2-Acetoxyphenyl)-4,6-Dimethyl-5-Oxo-1,3-Cyclohexadiene-1-Carboxylate
[CAS# 40801-44-3]

Identification

• Name: Methyl 6-(2-Acetoxyphenyl)-4,6-Dimethyl-5-Oxo-1,3-Cyclohexadiene-1-Carboxylate
• Synonyms: Methyl 6-[2-(acetyloxy)phenyl]-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylate #
• Molecular Formula: C₁₈H₁₈O₅
• Molecular Weight: 314.33
• CAS Registry Number: 40801-44-3
• SMILES: O=C2/C(=C\C=C(\C(=O)OC)C2(c1ccccc1OC(=O)C)C)C
• InChI: 1S/C18H18O5/c1-11-9-10-14(17(21)22-4)18(3,16(11)20)13-7-5-6-8-15(13)23-12(2)19/h5-10H,1-4H3
• InChIKey: PHOMRWLFISONIP-UHFFFAOYSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 450.35°C at 760 mmHg (Cal.)
• Flash point: 198.29°C (Cal.)