CAS 845790-55-8

Ethyl α-oxo-4-propylbenzeneacetate

Description:

Ethyl α-oxo-4-propylbenzeneacetate, identified by its CAS number 845790-55-8, 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 propyl group attached to a benzene ring, contributing to its hydrophobic characteristics, while the α-oxo group indicates the presence of a ketone functionality adjacent to the ester. Ethyl α-oxo-4-propylbenzeneacetate is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic nature. Its structure suggests potential applications in organic synthesis, possibly as an intermediate in the production of pharmaceuticals or agrochemicals. Additionally, the presence of both the ester and ketone functionalities may impart unique reactivity, making it a candidate for various chemical transformations. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper usage and minimize risks.

Formula: C₁₃H₁₆O₃

InChI: InChI=1S/C13H16O3/c1-3-5-10-6-8-11(9-7-10)12(14)13(15)16-4-2/h6-9H,3-5H2,1-2H3

InChI key: InChIKey=CNRWTXQCEJIFSU-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, alpha-oxo-4-propyl-, ethyl ester
• Benzeneacetic acid, α-oxo-4-propyl-, ethyl ester
• Ethyl α-oxo-4-propylbenzeneacetate
• Ethyl oxo(4-propylphenyl)acetate