CAS 951888-49-6

Ethyl 2-ethyl-α-oxobenzeneacetate

Description:

Ethyl 2-ethyl-α-oxobenzeneacetate, identified by its CAS number 951888-49-6, is an organic compound that belongs to the class of esters. It is characterized by the presence of an ethyl group and a benzene ring, which contributes to its aromatic properties. The compound features a ketone functional group (α-oxobenzene) adjacent to the ester functionality, which can influence its reactivity and interactions with other chemical species. Ethyl 2-ethyl-α-oxobenzeneacetate is typically a colorless to pale yellow liquid with a pleasant odor, making it potentially useful in flavor and fragrance applications. Its solubility in organic solvents and limited solubility in water are typical for esters, which can affect its use in various chemical processes. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. As with many organic compounds, safety precautions should be observed when handling this substance, including the use of appropriate personal protective equipment.

Formula: C₁₂H₁₄O₃

InChI: InChI=1S/C12H14O3/c1-3-9-7-5-6-8-10(9)11(13)12(14)15-4-2/h5-8H,3-4H2,1-2H3

InChI key: InChIKey=IPDYHRXYMNOMFY-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2-ethyl-α-oxobenzeneacetate
• Benzeneacetic acid, 2-ethyl-α-oxo-, ethyl ester