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CAS 542-08-5

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Isopropyl acetoacetate

Description:
Isopropyl acetoacetate, with the CAS number 542-08-5, is an organic compound that belongs to the class of acetoacetates. It is characterized by its ester functional group, which contributes to its reactivity and solubility properties. This compound typically appears as a colorless to pale yellow liquid with a fruity odor. Isopropyl acetoacetate is known for its use as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It exhibits moderate volatility and is soluble in organic solvents such as ethanol and ether, while being less soluble in water. The compound can undergo various chemical reactions, including condensation and acylation, making it valuable in synthetic organic chemistry. 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. Overall, isopropyl acetoacetate is a versatile compound with significant applications in chemical synthesis.
Formula:C7H12O3
InChI:InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChI key:InChIKey=GVIIRWAJDFKJMJ-UHFFFAOYSA-N
SMILES:C(C(OC(C)C)=O)C(C)=O
Synonyms:
  • 3-Oxobutanoic acid 1-methylethyl ester
  • 3-Oxobutanoic acid isopropyl ester
  • Acetoacetic acid, isopropyl ester
  • Acip
  • Butanoic acid, 3-oxo-, 1-methylethyl ester
  • Isopropyl 3-Oxobutanoate
  • Isopropyl 3-oxobutyrate
  • Isopropyl acetoacetate
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