3-Ethyl-3-Hydroxy-2-Phenyl-Pentanoic Acid
[CAS# 5457-09-0]

Identification

• Name: 3-Ethyl-3-Hydroxy-2-Phenyl-Pentanoic Acid
• Synonyms: 3-Ethyl-3-Hydroxy-2-Phenyl-Pentanoic Acid; 3-Ethyl-3-Hydroxy-2-Phenyl-Valeric Acid; Nsc21327
• Molecular Formula: C₁₃H₁₈O₃
• Molecular Weight: 222.28
• CAS Registry Number: 5457-09-0
• SMILES: C1=CC=CC=C1C(C(O)=O)C(CC)(CC)O
• InChI: 1S/C13H18O3/c1-3-13(16,4-2)11(12(14)15)10-8-6-5-7-9-10/h5-9,11,16H,3-4H2,1-2H3,(H,14,15)
• InChIKey: HJEDWYXIJNWHJL-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 357.901°C at 760 mmHg (Cal.)
• Flash point: 184.442°C (Cal.)