CAS 898764-29-9

Ethyl 3-(3,3-dimethyl-1-oxobutyl)benzoate

Description:

Ethyl 3-(3,3-dimethyl-1-oxobutyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and an alcohol. This compound features a benzoate moiety, indicating that it has a benzene ring attached to a carbonyl group, which is further connected to an ethyl group. The presence of the 3,3-dimethyl-1-oxobutyl substituent introduces additional complexity, contributing to its unique chemical properties. Ethyl 3-(3,3-dimethyl-1-oxobutyl)benzoate is likely to exhibit moderate polarity due to the ester functional group, affecting its solubility in various solvents. It may also participate in typical ester reactions, such as hydrolysis and transesterification. The compound's structure suggests potential applications in organic synthesis, fragrance formulations, or as an intermediate in the production of other chemical entities. However, specific physical properties such as boiling point, melting point, and density would need to be referenced from experimental data or literature for precise applications and handling guidelines.

Formula: C₁₅H₂₀O₃

InChI: 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

InChI key: InChIKey=XCVPGOWBVUQEPK-UHFFFAOYSA-N

SMILES: C(CC(C)(C)C)(=O)C1=CC(C(OCC)=O)=CC=C1

Synonyms:

• Benzoic acid, 3-(3,3-dimethyl-1-oxobutyl)-, ethyl ester
• Ethyl 3-(3,3-dimethyl-1-oxobutyl)benzoate