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CAS 898754-49-9

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Ethyl 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate

Description:
Ethyl 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898754-49-9, is an organic compound that belongs to the class of esters. This substance features a benzoate moiety, which is characterized by the presence of a benzene ring attached to a carboxylate group. The compound also contains an ethyl group, contributing to its ester classification, and a propanoyl group that is substituted with a 2,6-dimethylphenyl group, indicating the presence of additional aromatic characteristics. Ethyl 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate is likely to exhibit moderate to low solubility in water due to its hydrophobic aromatic components, while being more soluble in organic solvents. The presence of multiple functional groups suggests potential reactivity, making it of interest in various chemical syntheses or applications in pharmaceuticals and organic chemistry. Its specific properties, such as melting point, boiling point, and reactivity, would need to be determined through experimental methods or detailed literature for practical applications.
Formula:C20H22O3
InChI:InChI=1S/C20H22O3/c1-4-23-20(22)18-11-6-5-10-17(18)19(21)13-12-16-14(2)8-7-9-15(16)3/h5-11H,4,12-13H2,1-3H3
InChI key:InChIKey=KEXXPYKICBJTDP-UHFFFAOYSA-N
SMILES:C(CCC1=C(C)C=CC=C1C)(=O)C2=C(C(OCC)=O)C=CC=C2
Synonyms:
  • Ethyl 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]benzoate
  • Benzoic acid, 2-[3-(2,6-dimethylphenyl)-1-oxopropyl]-, ethyl ester
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