3-(Benzoyloxy)-2,4-Pentanedione
[CAS# 4620-47-7]

Identification

• Name: 3-(Benzoyloxy)-2,4-Pentanedione
• Synonyms: (1-Acetyl-2-Oxo-Propyl) Benzoate; Benzoic Acid (1-Acetyl-2-Oxopropyl) Ester; Benzoic Acid (1-Acetyl-2-Keto-Propyl) Ester
• Molecular Formula: C₁₂H₁₂O₄
• Molecular Weight: 220.22
• CAS Registry Number: 4620-47-7
• SMILES: C1=CC=C(C=C1)C(=O)OC(C(=O)C)C(=O)C
• InChI: 1S/C12H12O4/c1-8(13)11(9(2)14)16-12(15)10-6-4-3-5-7-10/h3-7,11H,1-2H3
• InChIKey: VWWVUXIKLRIRAZ-UHFFFAOYSA-N

Properties

• Density: 1.172g/cm³ (Cal.)
• Boiling point: 373.351°C at 760 mmHg (Cal.)
• Flash point: 167.022°C (Cal.)