Ethyl 4-(3-fluorophenyl)-2,2-dimethyl-4-oxobutanoate
[CAS# 898753-65-6]

Identification

• Name: Ethyl 4-(3-fluorophenyl)-2,2-dimethyl-4-oxobutanoate
• Synonyms: ethyl 2,2-dimethyl-4-(3-fluorophenyl)-4-oxobutyrate
• Molecular Formula: C₁₄H₁₇FO₃
• Molecular Weight: 252.28
• CAS Registry Number: 898753-65-6
• SMILES: O=C(CC(C)(C)C(=O)OCC)c1cc(F)ccc1
• InChI: 1S/C14H17FO3/c1-4-18-13(17)14(2,3)9-12(16)10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3
• InChIKey: KMLUPMFOKAHHJF-UHFFFAOYSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 346.236°C at 760 mmHg (Cal.)
• Flash point: 157.759°C (Cal.)
• Refractive index: 1.489 (Cal.)