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CAS 898776-70-0

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Ethyl α,3,5-trimethyl-γ-oxobenzenebutanoate

Description:
Ethyl α,3,5-trimethyl-γ-oxobenzenebutanoate is an organic compound characterized by its complex structure, which includes an ester functional group and a ketone moiety. This compound features a benzene ring substituted with three methyl groups at the 3, 5, and α positions, contributing to its hydrophobic nature and potential for various chemical interactions. The presence of the ethyl ester group enhances its solubility in organic solvents, making it useful in synthetic applications. Additionally, the γ-oxobutanoate portion of the molecule indicates the presence of a carbonyl group, which can participate in nucleophilic addition reactions. The compound's unique structure may impart specific biological activities, making it of interest in medicinal chemistry and drug design. Its CAS number, 898776-70-0, allows for easy identification and retrieval of information regarding its properties, safety data, and potential applications in research and industry. Overall, this compound exemplifies the diverse chemistry associated with substituted aromatic esters and their derivatives.
Formula:C15H20O3
InChI:InChI=1S/C15H20O3/c1-5-18-15(17)12(4)9-14(16)13-7-10(2)6-11(3)8-13/h6-8,12H,5,9H2,1-4H3
InChI key:InChIKey=QQXRGBPEXBUAMW-UHFFFAOYSA-N
SMILES:C(CC(C(OCC)=O)C)(=O)C1=CC(C)=CC(C)=C1
Synonyms:
  • Benzenebutanoic acid, α,3,5-trimethyl-γ-oxo-, ethyl ester
  • Ethyl α,3,5-trimethyl-γ-oxobenzenebutanoate
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