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CAS 898780-35-3

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

Description:
Ethyl 3-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898780-35-3, is an organic compound that belongs to the class of esters. It features a benzoate structure, which is characterized by a benzene ring attached to a carboxylate group. The presence of the ethyl group indicates that it is an ester derived from benzoic acid and ethanol. The compound also contains a propyl chain with a ketone functional group, contributing to its reactivity and potential applications in organic synthesis. The 3,5-dimethylphenyl substituent adds to the complexity of its structure, influencing its physical and chemical properties, such as solubility and boiling point. Ethyl esters like this compound are often used in the synthesis of pharmaceuticals, fragrances, and other fine chemicals due to their relatively low toxicity and pleasant odors. Additionally, the presence of multiple functional groups may allow for further chemical modifications, making it a versatile intermediate in organic chemistry.
Formula:C20H22O3
InChI:InChI=1S/C20H22O3/c1-4-23-20(22)18-7-5-6-17(13-18)19(21)9-8-16-11-14(2)10-15(3)12-16/h5-7,10-13H,4,8-9H2,1-3H3
InChI key:InChIKey=RXSHIOVBBTVWGQ-UHFFFAOYSA-N
SMILES:C(CCC1=CC(C)=CC(C)=C1)(=O)C2=CC(C(OCC)=O)=CC=C2
Synonyms:
  • Benzoic acid, 3-[3-(3,5-dimethylphenyl)-1-oxopropyl]-, ethyl ester
  • Ethyl 3-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate
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