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Isopropyl acetoacetate 542-08-5

Isopropyl acetoacetate (CAS 542-08-5, C7H12O3), is a colorless liquid, widely used in the synthesis of pharmaceuticals, flavors, and fragrances. It has a fruity odor and is soluble in organic solvents. Isopropyl acetoacetate plays a crucial role as a versatile intermediate in various application fields, including the pharmaceutical industry, where it is used in the synthesis of drugs and active pharmaceutical ingredients. It is also utilized in the production of flavors and fragrances, contributing to the creation of pleasant scents and tastes. With its special properties, Isopropyl acetoacetate enables the formation of complex organic compounds, making it an essential component in many chemical processes.

Chemical Name Isopropyl acetoacetate
CAS Registry Number 542-08-5
PubChemID 68329
Molecular Weight 144.16838
PSA 43.37000
LogP 0.91710
EINECS 208-798-4
Molecular Formula C7H12O3
Synonyms
  • 3-Oxobutanoic acid 1-methylethyl ester
  • 3-Oxobutanoic acid isopropyl ester
  • 3-oxobutanoic acid propan-2-yl ester
  • 3-oxo-butanoicaci1-methylethylester
  • 3-Oxobutansαure-1-methylethylester
  • 3-Oxobutyric Acid Isopropyl Ester
  • 3-Oxo-butyricacidisopropylester
  • Acetoacetic Acid Isopropyl Ester
  • Acetoacetic acid, isopropyl ester
  • Acetoaceticacid,isopropylester
  • acetoaceticacidisopropylester
  • Butanoic acid, 3-oxo-, 1-methylethyl ester
  • Butanoicacid,3-oxo-,1-methylethylester
  • EINECS 208-798-4
  • Isopropyl 3-oxobutanoate
  • Isopropyl 3-Oxobutyrate
  • Isopropyl3-oxobutanoate
  • MFCD00043933
  • propan-2-yl 3-oxobutanoate
 

542-08-5 Properties

  • Density 0.989
    Boiling Point 185.8 oC at 760 mmHg
    Flash Point 68.9 oC
    Melting Point -27 oC
    Vapour 0.0±2.0 mmHg at 25C (Predicted)
    Refractive Index 1.413
    HS Code 2918300090
 

542-08-5 Safety Infomation

  • Safety Statements 26-36
    Risk Statements R38
    Hazard Codes
    Hazard Note H315
    Transport NONH for all modes of transport
 

542-08-5 NMR Specturm

 

542-08-5   Synthesis Route

 
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