CAS 898794-96-2

Ethyl 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]benzoate

Description:

Ethyl 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898794-96-2, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is a derivative of benzoic acid, and is characterized by the presence of an ethyl group and a complex substituent that includes a ketone functionality. The compound exhibits a relatively high molecular weight due to its multiple aromatic and aliphatic components. Ethyl 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]benzoate is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It may possess moderate solubility in organic solvents, while its solubility in water is expected to be low due to the hydrophobic nature of the aromatic rings. This compound may be of interest in various fields, including pharmaceuticals and materials science, due to its potential applications in synthesis and as an intermediate in chemical reactions. Safety data should be consulted for handling and storage guidelines.

Formula: C₂₀H₂₂O₃

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

InChI key: InChIKey=JAYAIZJCFGYHOU-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]benzoate
• Benzoic acid, 4-[3-(2,5-dimethylphenyl)-1-oxopropyl]-, ethyl ester