4-(3,4-Dimethylphenyl)-4-Oxobutanoic Acid
[CAS# 51036-98-7]

Identification

• Name: 4-(3,4-Dimethylphenyl)-4-Oxobutanoic Acid
• Synonyms: 4-(3,4-Dimethylphenyl)-4-Oxo-Butanoate; 4-(3,4-Dimethylphenyl)-4-Keto-Butyrate; Zinc01766311
• Molecular Formula: C₁₂H₁₃O₃
• Molecular Weight: 205.23
• CAS Registry Number: 51036-98-7
• SMILES: C1=C(C(=O)CCC([O-])=O)C=CC(=C1C)C
• InChI: 1S/C12H14O3/c1-8-3-4-10(7-9(8)2)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)/p-1
• InChIKey: UXIHUHNPOHTZAQ-UHFFFAOYSA-M

Properties

• Boiling point: 402.061°C at 760 mmHg (Cal.)
• Flash point: 211.119°C (Cal.)