3-(2,4-Dimethyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)-3-Methylbutanoic Acid
[CAS# 133544-77-1]

Identification

• Name: 3-(2,4-Dimethyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)-3-Methylbutanoic Acid
• Synonyms: 3-(2,4-Dimethyl-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl)-3-Methyl-Butanoic Acid; 3-(3,6-Diketo-2,4-Dimethyl-1-Cyclohexa-1,4-Dienyl)-3-Methyl-Butyric Acid; 1,4-Cyclohexadiene-1-Propanoic Acid, Beta,Beta,2,4-Tetramethyl-3,6-Dioxo-
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.27
• CAS Registry Number: 133544-77-1
• SMILES: C(C(=O)O)C(C1=C(C(C(=CC1=O)C)=O)C)(C)C
• InChI: 1S/C13H16O4/c1-7-5-9(14)11(8(2)12(7)17)13(3,4)6-10(15)16/h5H,6H2,1-4H3,(H,15,16)
• InChIKey: JHOMCQALRKZDFZ-UHFFFAOYSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 373.257°C at 760 mmHg (Cal.)
• Flash point: 193.718°C (Cal.)