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CAS 13562-84-0

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Hexyl 3-oxobutanoate

Description:
Hexyl 3-oxobutanoate, also known as hexyl acetoacetate, is an organic compound characterized by its ester functional group. It is derived from the reaction of hexanol and acetoacetic acid. This substance typically appears as a colorless to pale yellow liquid with a fruity odor, making it potentially useful in flavoring and fragrance applications. Its molecular structure features a hexyl group attached to a 3-oxobutanoate moiety, which contributes to its reactivity and solubility properties. Hexyl 3-oxobutanoate is soluble in organic solvents and exhibits moderate polarity, allowing it to interact with various chemical environments. It is often utilized in organic synthesis and may serve as an intermediate in the production of other chemical compounds. Safety data indicates that, like many esters, it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper storage in a cool, dry place away from sources of ignition is recommended to maintain its stability and integrity.
Formula:C10H18O3
InChI:InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h3-8H2,1-2H3
InChI key:InChIKey=QNZLAXONNWOLJY-UHFFFAOYSA-N
SMILES:O(C(CC(C)=O)=O)CCCCCC
Synonyms:
  • Acetoacetic acid n-hexyl ester
  • Acetoacetic acid, hexyl ester
  • Butanoic acid, 3-oxo-, hexyl ester
  • Hexyl 3-Oxobutanoate
  • Hexyl 3-oxo-butanoate
  • Hexyl acetoacetate
  • n-Hexyl acetylacetate
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