4-(3-Oxobutyl)Phenyl Isovalerate
[CAS# 84812-71-5]

Identification

• Name: 4-(3-Oxobutyl)Phenyl Isovalerate
• Synonyms: 3-Methylbutanoic Acid [4-(3-Oxobutyl)Phenyl] Ester; 3-Methylbutyric Acid [4-(3-Ketobutyl)Phenyl] Ester; 4-(3-Oxobutyl)Phenyl Isovalerate
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 84812-71-5
• EINECS: 284-215-7
• SMILES: C1=C(OC(=O)CC(C)C)C=CC(=C1)CCC(=O)C
• InChI: 1S/C15H20O3/c1-11(2)10-15(17)18-14-8-6-13(7-9-14)5-4-12(3)16/h6-9,11H,4-5,10H2,1-3H3
• InChIKey: TXFRWSBGEBFNFP-UHFFFAOYSA-N

Properties

• Density: 1.035g/cm³ (Cal.)
• Boiling point: 349.504°C at 760 mmHg (Cal.)
• Flash point: 151.226°C (Cal.)