CAS 951888-70-3

Ethyl 4-butyl-ε-oxobenzenehexanoate

Description:

Ethyl 4-butyl-ε-oxobenzenehexanoate, identified by its CAS number 951888-70-3, is an organic compound characterized by its ester functional group, which is formed from the reaction of an alcohol and a carboxylic acid. This compound features a butyl group and a hexanoate chain, contributing to its hydrophobic properties. The presence of the ε-oxobenzene moiety indicates that it contains a benzene ring with a ketone functional group, which can influence its reactivity and interaction with other substances. Ethyl esters typically exhibit moderate volatility and can be soluble in organic solvents, making them useful in various applications, including as intermediates in organic synthesis or in the formulation of fragrances and flavorings. The specific structural features of this compound may also impart unique biological activities, which could be of interest in pharmaceutical research. However, detailed studies on its toxicity, environmental impact, and specific applications would be necessary to fully understand its characteristics and potential uses.

Formula: C₁₈H₂₆O₃

InChI: InChI=1S/C18H26O3/c1-3-5-8-15-11-13-16(14-12-15)17(19)9-6-7-10-18(20)21-4-2/h11-14H,3-10H2,1-2H3

InChI key: InChIKey=XZYVEGCUONKTEE-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 4-butyl-ε-oxo-, ethyl ester
• Ethyl 4-butyl-ε-oxobenzenehexanoate