4-(3,5-Dimethylphenyl)-2-methyl-4-oxobutanoic acid
[CAS# 898767-01-6]

Identification

• Name: 4-(3,5-Dimethylphenyl)-2-methyl-4-oxobutanoic acid
• Synonyms: 4-(3,5-dimethylphenyl)-2-methyl-4-oxobutyric acid
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• CAS Registry Number: 898767-01-6
• SMILES: Cc1cc(cc(C)c1)C(=O)CC(C)C(O)=O
• InChI: 1S/C13H16O3/c1-8-4-9(2)6-11(5-8)12(14)7-10(3)13(15)16/h4-6,10H,7H2,1-3H3,(H,15,16)
• InChIKey: COYIRJYVWHGOAE-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 399.542°C at 760 mmHg (Cal.)
• Flash point: 209.598°C (Cal.)
• Refractive index: 1.531 (Cal.)