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CAS 40552-84-9

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Butanoic acid, 3-oxo-, 1-phenylethyl ester

Description:
Butanoic acid, 3-oxo-, 1-phenylethyl ester, also known by its CAS number 40552-84-9, is an organic compound characterized by its ester functional group. This compound features a butanoic acid moiety with a ketone at the 3-position and a phenylethyl group as the alcohol component. It typically appears as a colorless to pale yellow liquid with a distinctive odor, characteristic of esters. The presence of the phenyl group contributes to its aromatic properties, while the butanoic acid component imparts a degree of acidity. This compound is likely to be soluble in organic solvents but may have limited solubility in water due to its hydrophobic characteristics. It may participate in various chemical reactions, including hydrolysis, transesterification, and condensation, making it of interest in organic synthesis and potentially in the development of fragrances or flavoring agents. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled.
Formula:C12H14O3
InChI:InChI=1S/C12H14O3/c1-9(13)8-12(14)15-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
InChI key:InChIKey=GSBJXOIVIOYPOW-UHFFFAOYSA-N
SMILES:C(OC(CC(C)=O)=O)(C)C1=CC=CC=C1
Synonyms:
  • 1-Phenylethyl 3-oxobutanoate
  • Butanoic acid, 3-oxo-, 1-phenylethyl ester
  • alpha-Methylbenzyl acetoacetate
  • α-Methylbenzyl acetoacetate
  • 1-Phenylethyl acetoacetate
  • 1-Phenylethyl acetoacetate
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  • 1-Phenylethyl 3-Oxobutanoate
    TRC
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    1-Phenylethyl 3-Oxobutanoate

    Controlled Product
    CAS:

    Applications 1-Phenylethyl 3-Oxobutanoate is an intermediate for the synthesis of cis-Crotoxyphos (C818825), which is an insecticide.
    References Potter, J.C., Burton, W.B.: J. Agr. Food Chem., 12, 439 (1964)

    Formula:C12H14O3
    Color and Shape:Neat
    Molecular weight:206.238

    Ref: TR-P796085

    100mg
    1,022.00€