CAS 898793-71-0

Ethyl 2-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzoate

Description:

Ethyl 2-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898793-71-0, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a complex structure that includes a benzoate moiety and a propanoyl group substituted with a 2,4-dimethylphenyl group, contributing to its unique chemical properties. Ethyl esters generally exhibit moderate volatility and solubility in organic solvents, making them useful in various applications, including as intermediates in organic synthesis and in the formulation of fragrances and flavorings. The presence of multiple aromatic rings in its structure may impart stability and influence its reactivity, while the dimethyl substitution can affect its steric hindrance and electronic properties. As with many organic compounds, safety data should be consulted for handling and usage, as it may pose risks such as irritation or toxicity. Overall, this compound exemplifies the diversity of organic chemistry and the intricate relationships between molecular structure and function.

Formula: C₂₀H₂₂O₃

InChI: InChI=1S/C20H22O3/c1-4-23-20(22)18-8-6-5-7-17(18)19(21)12-11-16-10-9-14(2)13-15(16)3/h5-10,13H,4,11-12H2,1-3H3

InChI key: InChIKey=ODFYFIDCAPZHDR-UHFFFAOYSA-N

SMILES: C(CCC1=C(C)C=C(C)C=C1)(=O)C2=C(C(OCC)=O)C=CC=C2

Synonyms:

• Benzoic acid, 2-[3-(2,4-dimethylphenyl)-1-oxopropyl]-, ethyl ester
• Ethyl 2-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzoate