4-(2,5-Dimethylphenyl)-3-Methyl-4-Oxobutanoic Acid
[CAS# 16206-39-6]

Identification

• Name: 4-(2,5-Dimethylphenyl)-3-Methyl-4-Oxobutanoic Acid
• Synonyms: 4-(2,5-Dimethylphenyl)-3-methyl-4-oxobutanoic acid; 4-(2,5-Dimethylphenyl)-3-methyl-4-oxobutanoic acid #; Butyric acid, 3-(2,5-dimethylbenzoyl)-
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• CAS Registry Number: 16206-39-6
• SMILES: O=C(c1cc(ccc1C)C)C(CC(=O)O)C
• InChI: 1S/C13H16O3/c1-8-4-5-9(2)11(6-8)13(16)10(3)7-12(14)15/h4-6,10H,7H2,1-3H3,(H,14,15)
• InChIKey: ZYCTURVYTQAFJB-UHFFFAOYSA-N

Properties

• Density: 1.112g/cm³ (Cal.)
• Boiling point: 392.297°C at 760 mmHg (Cal.)
• Flash point: 205.221°C (Cal.)
• Refractive index: 1.532 (Cal.)