Phenethyl 4-Oxovalerate
[CAS# 53939-81-4]

Identification

• Name: Phenethyl 4-Oxovalerate
• Synonyms: 4-Oxopentanoic Acid 2-Phenylethyl Ester; 4-Ketovaleric Acid 2-Phenylethyl Ester
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.27
• CAS Registry Number: 53939-81-4
• EINECS: 258-877-2
• SMILES: C1=CC=CC=C1CCOC(CCC(C)=O)=O
• InChI: 1S/C13H16O3/c1-11(14)7-8-13(15)16-10-9-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
• InChIKey: FJEDCBJSNFURKI-UHFFFAOYSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 339.509°C at 760 mmHg (Cal.)
• Flash point: 148.623°C (Cal.)