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CAS 105-45-3

:

Methyl acetoacetate

Description:
Methyl acetoacetate, with the CAS number 105-45-3, is an organic compound classified as a beta-keto ester. It has a molecular formula of C5H8O3 and features a characteristic structure that includes both an ester and a ketone functional group. This compound is typically a colorless to pale yellow liquid with a fruity odor, making it useful in flavoring and fragrance applications. Methyl acetoacetate is soluble in organic solvents such as ethanol and ether, but has limited solubility in water due to its hydrophobic alkyl chain. It is known for its reactivity in various chemical reactions, including condensation and acylation, which makes it valuable in synthetic organic chemistry, particularly in the synthesis of pharmaceuticals and agrochemicals. Additionally, it can undergo hydrolysis to yield acetoacetic acid and methanol. Safety considerations include handling it in well-ventilated areas and using appropriate personal protective equipment, as it may cause irritation to the skin and eyes.
Formula:C5H8O3
InChI:InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChI key:InChIKey=WRQNANDWMGAFTP-UHFFFAOYSA-N
SMILES:C(CC(C)=O)(OC)=O
Synonyms:
  • 1-Methoxybutane-1,3-dione
  • 3-Oxobutanoic acid methyl ester
  • 3-Oxobutyric acid methyl ester
  • Acetessigsaeure-Methylester
  • Acetoacetate de methyle
  • Acetoacetate methyl ester
  • Acetoacetate, Methyl
  • Acetoacetato De Metilo
  • Acetoacetic acid methyl ester
  • Butanoic acid, 3-oxo-, methyl ester:
  • See more synonyms
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