alpha-Butyl-beta-Oxobenzenepropionic Acid Ethyl Ester
[CAS# 6134-71-0]

Identification

• Name: alpha-Butyl-beta-Oxobenzenepropionic Acid Ethyl Ester
• Synonyms: 2-(Oxo-Phenylmethyl)Hexanoic Acid Ethyl Ester; 2-(Benzoyl)Hexanoic Acid Ethyl Ester; Ethyl 2-Phenylcarbonylhexanoate
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 6134-71-0
• SMILES: C1=C(C(C(C(OCC)=O)CCCC)=O)C=CC=C1
• InChI: 1S/C15H20O3/c1-3-5-11-13(15(17)18-4-2)14(16)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3
• InChIKey: PRTRNADIOWYQGB-UHFFFAOYSA-N

Properties

• Density: 1.033g/cm³ (Cal.)
• Boiling point: 329.208°C at 760 mmHg (Cal.)
• Flash point: 140.727°C (Cal.)