2-Hydroxy-3-Methyl-5-(2-Phenylbutyryl)Benzoic Acid
[CAS# 50439-07-1]

Identification

• Name: 2-Hydroxy-3-Methyl-5-(2-Phenylbutyryl)Benzoic Acid
• Synonyms: 2-Hydroxy-3-Methyl-5-(1-Oxo-2-Phenylbutyl)Benzoic Acid; 2,3-Cresotic Acid, 5-(2-Phenylbutyryl)-; 5-(2-Phenylbutyryl)-2,3-Cresotic Acid
• Molecular Formula: C₁₈H₁₈O₄
• Molecular Weight: 298.34
• CAS Registry Number: 50439-07-1
• SMILES: C2=C(C(C(C1=CC=CC=C1)CC)=O)C=C(C(=C2C(O)=O)O)C
• InChI: 1S/C18H18O4/c1-3-14(12-7-5-4-6-8-12)17(20)13-9-11(2)16(19)15(10-13)18(21)22/h4-10,14,19H,3H2,1-2H3,(H,21,22)
• InChIKey: GQUAGNLRQXBIPW-UHFFFAOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 509.954°C at 760 mmHg (Cal.)
• Flash point: 276.299°C (Cal.)