4-Oxo-4-(2,4,5-trimethylphenyl)butanoic acid
[CAS# 89080-36-4]

Identification

• Name: 4-Oxo-4-(2,4,5-trimethylphenyl)butanoic acid
• Synonyms: 4-(2,4,5-Trimethylphenyl)-4-oxobutyric acid
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• CAS Registry Number: 89080-36-4
• SMILES: Cc1cc(C(=O)CCC(O)=O)c(C)cc1C
• InChI: 1S/C13H16O3/c1-8-6-10(3)11(7-9(8)2)12(14)4-5-13(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
• InChIKey: OMQTWJNRKGJMAG-UHFFFAOYSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 411.095°C at 760 mmHg (Cal.)
• Flash point: 216.577°C (Cal.)