3-Hydroxy-2-Methyl-2-Phenyl-Hexanoic Acid
[CAS# 5457-10-3]

Identification

• Name: 3-Hydroxy-2-Methyl-2-Phenyl-Hexanoic Acid
• Synonyms: 3-Hydroxy-2-Methyl-2-Phenyl-Hexanoic Acid; Nsc21328
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 5457-10-3
• SMILES: C1=CC=CC=C1C(C(CCC)O)(C(=O)O)C
• InChI: 1S/C13H18O3/c1-3-7-11(14)13(2,12(15)16)10-8-5-4-6-9-10/h4-6,8-9,11,14H,3,7H2,1-2H3,(H,15,16)
• InChIKey: XRHHBKJQHNRZHN-UHFFFAOYSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 362.146°C at 760 mmHg (Cal.)
• Flash point: 187.006°C (Cal.)