3-Oxo-3-(2,4,6-Trimethylphenyl)Propionic Acid
[CAS# 54458-28-5]

Identification

• Name: 3-Oxo-3-(2,4,6-Trimethylphenyl)Propionic Acid
• Synonyms: 3-Oxo-3-(2,4,6-Trimethylphenyl)Propanoic Acid Ethyl Ester; 3-Keto-3-(2,4,6-Trimethylphenyl)Propionic Acid Ethyl Ester; Zinc01757675
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 54458-28-5
• SMILES: C1=C(C(=C(C=C1C)C)C(CC(OCC)=O)=O)C
• InChI: 1S/C14H18O3/c1-5-17-13(16)8-12(15)14-10(3)6-9(2)7-11(14)4/h6-7H,5,8H2,1-4H3
• InChIKey: JKDAOORMLXVMGQ-UHFFFAOYSA-N

Properties

• Density: 1.052g/cm³ (Cal.)
• Boiling point: 326.51°C at 760 mmHg (Cal.)
• Flash point: 140.591°C (Cal.)