CAS 898777-83-8

Ethyl ε-oxo-4-(trifluoromethyl)benzenehexanoate

Description:

Ethyl ε-oxo-4-(trifluoromethyl)benzenehexanoate, identified by its CAS number 898777-83-8, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol and a carboxylic acid. This compound features a hexanoate chain, indicating it has a six-carbon backbone, and a trifluoromethyl group, which significantly influences its chemical properties and reactivity due to the electronegative fluorine atoms. The presence of the ε-oxo group suggests that it may participate in various chemical reactions, including condensation and nucleophilic attacks. Ethyl ε-oxo-4-(trifluoromethyl)benzenehexanoate is likely to be a colorless to pale yellow liquid, exhibiting moderate volatility and solubility in organic solvents. Its unique structure may impart specific biological activities or applications in pharmaceuticals, agrochemicals, or materials science. However, detailed safety and handling information should be consulted, as compounds with trifluoromethyl groups can exhibit distinct toxicological profiles.

Formula: C₁₅H₁₇F₃O₃

InChI: InChI=1S/C15H17F3O3/c1-2-21-14(20)6-4-3-5-13(19)11-7-9-12(10-8-11)15(16,17)18/h7-10H,2-6H2,1H3

InChI key: InChIKey=JGOWXRIHZIGXBC-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, ε-oxo-4-(trifluoromethyl)-, ethyl ester
• Ethyl ε-oxo-4-(trifluoromethyl)benzenehexanoate