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CAS 73013-51-1

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Ethyl 4-(2-oxopropyl)benzoate

Description:
Ethyl 4-(2-oxopropyl)benzoate, identified by its CAS number 73013-51-1, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is a benzene ring substituted with an ethyl ester group and a 2-oxopropyl side chain. This compound typically exhibits a moderate to high boiling point and is generally soluble in organic solvents, reflecting its ester nature. Ethyl 4-(2-oxopropyl)benzoate may be used in various applications, including as an intermediate in organic synthesis or in the formulation of fragrances and flavoring agents due to its pleasant aroma. Its chemical structure suggests potential reactivity typical of esters, such as hydrolysis under acidic or basic conditions. Additionally, the presence of the ketone functional group in the 2-oxopropyl side chain may impart unique reactivity and properties, making it of interest in synthetic organic chemistry. Safety data should be consulted for handling and usage, as with all chemical substances.
Formula:C12H14O3
InChI:InChI=1S/C12H14O3/c1-3-15-12(14)11-6-4-10(5-7-11)8-9(2)13/h4-7H,3,8H2,1-2H3
InChI key:InChIKey=RJNSZJDYXNBUEF-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=C(CC(C)=O)C=C1
Synonyms:
  • Benzoic acid, 4-(2-oxopropyl)-, ethyl ester
  • Ethyl 4-(2-oxopropyl)benzoate
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