3-Methyl-5-(4-Methylphenyl)-5-Oxopentanoic Acid
[CAS# 14618-94-1]

Identification

• Name: 3-Methyl-5-(4-Methylphenyl)-5-Oxopentanoic Acid
• Synonyms: 3-Methyl-5-(4-methylphenyl)-5-oxovaleric acid; 5-(4-Methylphenyl)-3-methyl-5-oxovaleric acid
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• CAS Registry Number: 14618-94-1
• SMILES: O=C(c1ccc(cc1)C)CC(CC(=O)O)C
• InChI: 1S/C13H16O3/c1-9-3-5-11(6-4-9)12(14)7-10(2)8-13(15)16/h3-6,10H,7-8H2,1-2H3,(H,15,16)
• InChIKey: QLFLVSLHVOQLTB-UHFFFAOYSA-N

Properties

• Density: 1.111g/cm³ (Cal.)
• Boiling point: 402°C at 760 mmHg (Cal.)
• Flash point: 211.083°C (Cal.)
• Refractive index: 1.529 (Cal.)