CAS 625-34-3
:Acetoacetaldehyde
Description:
Acetoacetaldehyde, also known as 3-oxobutanal, is an organic compound characterized by its functional groups of both a ketone and an aldehyde. It has the molecular formula C5H8O2 and features a distinctive structure that includes a five-carbon chain with a ketone group at one end and an aldehyde group at the other. This compound is typically a colorless to pale yellow liquid with a sweet, fruity odor, and it is soluble in water, alcohol, and ether. Acetoacetaldehyde is known for its reactivity, particularly in condensation reactions, making it a valuable intermediate in organic synthesis, especially in the production of pharmaceuticals and agrochemicals. It can undergo various reactions, including aldol condensation and Michael addition, due to the presence of both electrophilic and nucleophilic sites. Additionally, it is important to handle acetoacetaldehyde with care, as it can be irritating to the skin, eyes, and respiratory system. Proper safety measures should be taken when working with this compound in a laboratory setting.
Formula:C4H6O2
InChI:InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3
InChI key:InChIKey=PKQIDSVLSKFZQC-UHFFFAOYSA-N
SMILES:C(C(C)=O)C=O
Synonyms:- 3-Oxobutanal
- Butanal, 3-oxo-
- Formylacetone
- Acetoacetaldehyde
- Acetylacetaldehyde
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