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CAS 591-60-6

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Butyl acetoacetate

Description:
Butyl acetoacetate, with the CAS number 591-60-6, is an organic compound classified as an ester. It is derived from acetoacetic acid and butanol, featuring a butyl group attached to the acetoacetate moiety. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it appealing for use in various applications. It has a moderate boiling point and is soluble in organic solvents such as ethanol and ether, while being less soluble in water. Butyl acetoacetate is known for its role as a solvent and as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and flavoring agents. Additionally, it can participate in various chemical reactions, including condensation and esterification, due to the presence of both carbonyl and ester functional groups. Safety considerations include handling it in well-ventilated areas and using appropriate personal protective equipment, as it may cause irritation upon contact with skin or eyes.
Formula:C8H14O3
InChI:InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3
InChI key:InChIKey=REIYHFWZISXFKU-UHFFFAOYSA-N
SMILES:O(C(CC(C)=O)=O)CCCC
Synonyms:
  • 3-Oxobutanoic acid butyl ester
  • Acetoacetic acid n-butyl ester
  • Acetoacetic acid, butyl ester
  • Butanoic acid, 3-oxo-, butyl ester
  • Butyl 3-Oxobutanoate
  • Butyl 3-oxobutyrate
  • NSC 97211
  • n-Butyl acetoacetate
  • Butyl acetoacetate
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