Ethyl 3-(3,3-dimethylbutanoyl)benzoate
[CAS# 898764-29-9]

Identification

• Name: Ethyl 3-(3,3-dimethylbutanoyl)benzoate
• Synonyms: 3'-Carboethoxy-3,3-dimethylbutyrophenone; MFCD03841084
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• CAS Registry Number: 898764-29-9
• SMILES: O=C(OCC)c1cccc(c1)C(=O)CC(C)(C)C
• InChI: 1S/C15H20O3/c1-5-18-14(17)12-8-6-7-11(9-12)13(16)10-15(2,3)4/h6-9H,5,10H2,1-4H3
• InChIKey: XCVPGOWBVUQEPK-UHFFFAOYSA-N

Properties

• Density: 1.029g/cm³ (Cal.)
• Boiling point: 353.758°C at 760 mmHg (Cal.)
• Flash point: 153.405°C (Cal.)
• Refractive index: 1.501 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE