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CAS 18835-02-4

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Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester

Description:
Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester, also known by its CAS number 18835-02-4, is an organic compound characterized by its ester functional group and a pentanoic acid backbone. This compound features a five-carbon chain (pentanoic acid) with an acetyl group and a keto group at the 3 and 4 positions, respectively. As an ester, it is typically formed from the reaction of pentanoic acid with ethanol, resulting in a fruity or sweet odor, which is common among esters. The presence of the acetyl and keto groups contributes to its reactivity and potential applications in organic synthesis and flavoring. It is generally soluble in organic solvents and may exhibit moderate solubility in water. The compound's structure allows for various chemical reactions, including hydrolysis and transesterification, making it useful in synthetic organic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C9H14O4
InChI:InChI=1S/C9H14O4/c1-4-13-9(12)5-8(6(2)10)7(3)11/h8H,4-5H2,1-3H3
InChI key:InChIKey=NKGFIBABDQHCHZ-UHFFFAOYSA-N
SMILES:C(CC(OCC)=O)(C(C)=O)C(C)=O
Synonyms:
  • Ethyl 3-acetyl-4-oxopentanoate
  • ethyl (3Z)-3-acetyl-4-hydroxypent-3-enoate
  • Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester
  • Ethyl 3-acetyllevulinate
  • Ethyl 3-acetyllevulinate
  • Levulinic acid, 3-acetyl-, ethyl ester
  • Ethyl β′,β-diacetylpropionate
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