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CAS 898768-63-3

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Ethyl 4-[3-(4-methylphenyl)-1-oxopropyl]benzoate

Description:
Ethyl 4-[3-(4-methylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898768-63-3, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is characterized by a benzene ring attached to a carboxylate group, and an ethyl group that contributes to its ester functionality. The compound contains a propyl chain with a ketone functional group, which is substituted with a para-methylphenyl group, enhancing its hydrophobic characteristics. Ethyl 4-[3-(4-methylphenyl)-1-oxopropyl]benzoate is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic nature. Its structure suggests potential applications in pharmaceuticals or as an intermediate in organic synthesis, particularly in the development of compounds with biological activity. The presence of the aromatic rings may also impart specific electronic properties, making it of interest in materials science and organic electronics. As with many organic compounds, safety data should be consulted for handling and usage guidelines.
Formula:C19H20O3
InChI:InChI=1S/C19H20O3/c1-3-22-19(21)17-11-9-16(10-12-17)18(20)13-8-15-6-4-14(2)5-7-15/h4-7,9-12H,3,8,13H2,1-2H3
InChI key:InChIKey=IWUVPPXOEPDXIP-UHFFFAOYSA-N
SMILES:C(CCC1=CC=C(C)C=C1)(=O)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • Benzoic acid, 4-[3-(4-methylphenyl)-1-oxopropyl]-, ethyl ester
  • Ethyl 4-[3-(4-methylphenyl)-1-oxopropyl]benzoate
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