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CAS 15933-07-0

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Ethyl 2-oxobutanoate

Description:
Ethyl 2-oxobutanoate, also known as ethyl acetoacetate, is an organic compound characterized by its ester functional group and a ketone moiety. It typically appears as a colorless to pale yellow liquid with a fruity odor, making it useful in flavoring and fragrance applications. The compound is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic ethyl group. Ethyl 2-oxobutanoate is known for its reactivity in various chemical reactions, including Claisen condensation and Michael addition, making it a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Its molecular structure features a four-carbon backbone with a carbonyl group adjacent to the ester functionality, contributing to its chemical reactivity. Additionally, it can undergo hydrolysis to yield acetoacetic acid and ethanol. 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:C6H9NaO3
InChI:InChI=1/C6H10O3.Na/c1-3-9-6(8)4-5(2)7;/h3-4H2,1-2H3;/q;+1
InChI key:InChIKey=FJAKCEHATXBFJT-UHFFFAOYSA-N
SMILES:C(C(CC)=O)(OCC)=O
Synonyms:
  • 2-Oxobutanoic acid ethyl ester
  • 2-Oxobutyric acid ethyl ester
  • Butanoic Acid, 3-Oxo-, Ethyl Ester, Sodium Salt (1:1)
  • Butanoic acid, 2-oxo-, ethyl ester
  • Butyric acid, 2-oxo-, ethyl ester
  • Ethyl 2-Oxobutanoate
  • Ethyl 2-ketobutyrate
  • Ethyl 2-oxobutyrate
  • Ethyl 3-methylpyruvate
  • Ethyl 3-oxobutanoate sodium salt
  • See more synonyms
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