CAS 898766-15-9

Ethyl 2-(2,2-dimethyl-1-oxopropyl)benzoate

Description:

Ethyl 2-(2,2-dimethyl-1-oxopropyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and an ethyl alcohol moiety. The structure features a benzoate backbone with a substituent that includes a 2,2-dimethyl-1-oxopropyl group, contributing to its unique properties. This compound is typically a colorless to pale yellow liquid with a pleasant odor, making it potentially useful in flavor and fragrance applications. Its molecular structure suggests moderate polarity due to the presence of both hydrophobic aromatic and hydrophilic ester groups, influencing its solubility in various organic solvents. Ethyl 2-(2,2-dimethyl-1-oxopropyl)benzoate may exhibit interesting reactivity patterns typical of esters, such as hydrolysis and transesterification, under appropriate conditions. Additionally, its potential applications in organic synthesis and as an intermediate in the production of other chemical compounds highlight its significance in the field of organic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₄H₁₈O₃

InChI: InChI=1S/C14H18O3/c1-5-17-13(16)11-9-7-6-8-10(11)12(15)14(2,3)4/h6-9H,5H2,1-4H3

InChI key: InChIKey=LOCICKQTFBKFOK-UHFFFAOYSA-N

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

Synonyms:

• 2′-Carboethoxy-2,2-dimethylpropiophenone
• Ethyl 2-(2,2-dimethyl-1-oxopropyl)benzoate
• Benzoic acid, 2-(2,2-dimethyl-1-oxopropyl)-, ethyl ester