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CAS 898793-73-2

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

Description:
Ethyl 3-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898793-73-2, 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 propyl chain substituted with a 2,4-dimethylphenyl group. The presence of the dimethylphenyl group contributes to its hydrophobic characteristics, while the ester group enhances its solubility in organic solvents. Ethyl 3-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzoate may exhibit interesting biological activities, making it a subject of interest in medicinal chemistry and material science. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would depend on the specific conditions and purity of the sample. Safety data should be consulted to ensure proper handling and usage in laboratory settings.
Formula:C20H22O3
InChI:InChI=1S/C20H22O3/c1-4-23-20(22)18-7-5-6-17(13-18)19(21)11-10-16-9-8-14(2)12-15(16)3/h5-9,12-13H,4,10-11H2,1-3H3
InChI key:InChIKey=HSELHLWKYJJDER-UHFFFAOYSA-N
SMILES:C(CCC1=C(C)C=C(C)C=C1)(=O)C2=CC(C(OCC)=O)=CC=C2
Synonyms:
  • Ethyl 3-[3-(2,4-dimethylphenyl)-1-oxopropyl]benzoate
  • Benzoic acid, 3-[3-(2,4-dimethylphenyl)-1-oxopropyl]-, ethyl ester
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