4-(3-Chloro-4-Propan-2-Ylphenyl)-4-Oxobutanoic Acid
[CAS# 32780-41-9]

Identification

• Name: 4-(3-Chloro-4-Propan-2-Ylphenyl)-4-Oxobutanoic Acid
• Synonyms: 4-(3-Chloro-4-Isopropyl-Phenyl)-4-Oxo-Butanoic Acid; 4-(3-Chloro-4-Isopropylphenyl)-4-Oxobutanoic Acid; 4-(3-Chloro-4-Isopropyl-Phenyl)-4-Keto-Butyric Acid
• Molecular Formula: C₁₃H₁₅ClO₃
• Molecular Weight: 254.71
• CAS Registry Number: 32780-41-9
• SMILES: C1=C(C(=CC=C1C(CCC(=O)O)=O)C(C)C)Cl
• InChI: 1S/C13H15ClO3/c1-8(2)10-4-3-9(7-11(10)14)12(15)5-6-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
• InChIKey: IABOTBQLHBOLNH-UHFFFAOYSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 429.565°C at 760 mmHg (Cal.)
• Flash point: 213.594°C (Cal.)