CAS 79714-32-2

Ethyl α-chloro-3,4-dimethylbenzeneacetate

Description:

Ethyl α-chloro-3,4-dimethylbenzeneacetate, with the CAS number 79714-32-2, is an organic compound characterized by its ester functional group and the presence of a chlorine atom. This compound features a benzene ring substituted with two methyl groups at the 3 and 4 positions, which contributes to its aromatic properties and influences its reactivity and solubility. The ethyl ester group enhances its volatility and potential for use in various chemical reactions, including esterification and nucleophilic substitution. The chlorine atom introduces a site for further chemical modification, making it a valuable intermediate in organic synthesis. Ethyl α-chloro-3,4-dimethylbenzeneacetate is typically a colorless to pale yellow liquid with a pleasant odor, and it is soluble in organic solvents. Its applications may include use in the synthesis of pharmaceuticals, agrochemicals, or as a flavoring agent, although specific applications can vary based on its reactivity and the presence of functional groups. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₂H₁₅ClO₂

InChI: InChI=1S/C12H15ClO2/c1-4-15-12(14)11(13)10-6-5-8(2)9(3)7-10/h5-7,11H,4H2,1-3H3

InChI key: InChIKey=LXCMAVGXLLQHIN-UHFFFAOYSA-N

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

Synonyms:

• Ethyl α-chloro-3,4-dimethylbenzeneacetate
• Benzeneacetic acid, α-chloro-3,4-dimethyl-, ethyl ester
• 2-Chloro-2-(3,4-dimethylphenyl)-acetic acid ethyl ester