3-Hydroxy-2-methoxy-7-(2-oxobutyl)-2,4,6-cycloheptatrien-1-one
[CAS# 690233-52-4]

Identification

• Name: 3-Hydroxy-2-methoxy-7-(2-oxobutyl)-2,4,6-cycloheptatrien-1-one
• Synonyms: 3-hydroxy-2-methoxy-7-(2-oxobutyl)cyclohepta-2,4,6-trienone
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• CAS Registry Number: 690233-52-4
• SMILES: CCC(=O)Cc1cccc(c(c1=O)OC)O
• InChI: 1S/C12H14O4/c1-3-9(13)7-8-5-4-6-10(14)12(16-2)11(8)15/h4-6,14H,3,7H2,1-2H3
• InChIKey: ASXIPSKKPVGFTF-UHFFFAOYSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 385.721°C at 760 mmHg (Cal.)
• Flash point: 148.345°C (Cal.)
• Refractive index: 1.539 (Cal.)