2-(3,4-Dimethyl-beta-Oxophenethyl)Benzoic Acid
[CAS# 50439-02-6]

Identification

• Name: 2-(3,4-Dimethyl-beta-Oxophenethyl)Benzoic Acid
• Synonyms: 2-[2-(3,4-Dimethylphenyl)-2-Oxo-Ethyl]Benzoic Acid; 2-[2-(3,4-Dimethylphenyl)-2-Keto-Ethyl]Benzoic Acid; Acide (Dimethyl-3'4' Benzoyl) Alpha-Orthotoluique [French]
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.31
• CAS Registry Number: 50439-02-6
• SMILES: C1=C(C(=CC=C1)C(=O)O)CC(=O)C2=CC=C(C(=C2)C)C
• InChI: 1S/C17H16O3/c1-11-7-8-14(9-12(11)2)16(18)10-13-5-3-4-6-15(13)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)
• InChIKey: ZOOUBGRVRUUFQX-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 462.613°C at 760 mmHg (Cal.)
• Flash point: 247.7°C (Cal.)