alpha-(Hydroxymethyl)-4-(2-Methylpropyl)-Benzeneacetic Acid
[CAS# 64730-72-9]

Identification

• Name: alpha-(Hydroxymethyl)-4-(2-Methylpropyl)-Benzeneacetic Acid
• Synonyms: 3-Hydroxy-2-(4-Isobutylphenyl)Propanoic Acid; 3-Hydroxy-2-(4-Isobutylphenyl)Propionic Acid
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 64730-72-9
• SMILES: C1=CC(=CC=C1C(C(=O)O)CO)CC(C)C
• InChI: 1S/C13H18O3/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
• InChIKey: GSVPDLNMVPXACN-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 369.969°C at 760 mmHg (Cal.)
• Flash point: 191.732°C (Cal.)