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CAS 541-50-4

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Acetoacetic acid

Description:
Acetoacetic acid, with the CAS number 541-50-4, is a beta-keto acid characterized by its molecular formula C4H6O3. It appears as a colorless to pale yellow liquid with a distinctive odor. This compound is known for its acidic properties, with a pKa value indicating its ability to donate protons in solution. Acetoacetic acid is soluble in water, alcohol, and ether, making it versatile in various chemical applications. It serves as an important intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and dyes. Additionally, it can undergo various reactions, including condensation and decarboxylation, which are valuable in synthetic organic chemistry. Acetoacetic acid is also a key component in the synthesis of other compounds, such as acetoacetate esters, which are used in the preparation of various derivatives. Due to its reactivity and functional groups, it plays a significant role in metabolic pathways, particularly in the synthesis of ketone bodies in biological systems.
Formula:C4H6O3
InChI:InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChI key:InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES:C(C(C)=O)C(O)=O
Synonyms:
  • 3-Acetonedicarboxylic acid
  • 3-Ketobutyric acid
  • 3-Oxobutanoic acid
  • 3-Oxobutyric acid
  • Acetessigsaeure
  • Acetic acid, acetyl-
  • Acetonecarboxylic acid
  • Acetylacetic acid
  • Butanoic acid, 3-oxo-
  • Diacetic acid
  • Acetoacetic acid
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