Isopropyl acetoacetate
- CAS NO.：542-08-5
- Empirical Formula: C7H12O3
- Molecular Weight: 144.17
- MDL number: MFCD00043933
- EINECS: 208-798-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-13 17:19:14
What is Isopropyl acetoacetate?
Chemical properties
Colourless Liquid
The Uses of Isopropyl acetoacetate
Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet
The Uses of Isopropyl acetoacetate
Isopropyl acetoacetate is used as an intermediate for the manufacturing of agrochemicals and pharmaceutical products such as isradipine.
What are the applications of Application
Isopropyl acetoacetate can be used as a reactant to synthesize:
Isopropyl 2-acetyl-3-phenyl-2-propenoate via Knoevenagel reaction in the presence of Ti(O-i-Pr)4.
Substituted 1,4-dihydropyridines by reacting with cinnamaldehydes and primary amines.
5-Isopropoxycarbonyl-6-methyl-4-phenyl-3,4-dihydropyrimidin-2(1H)-thione via Biginelli reaction with benzaldehyde and thiourea.
Synthesis Reference(s)
The Journal of Organic Chemistry, 26, p. 225, 1961 DOI: 10.1021/jo01060a055
Properties of Isopropyl acetoacetate
| Melting point: | -27°C |
| Boiling point: | 95 °C52 hPa(lit.) |
| Density | 0.989 g/mL at 20 °C(lit.) |
| refractive index | n |
| Flash point: | 73°C |
| solubility | Chloroform, Ethyl Acetate, Methanol, Toluene, |
| form | Colourless Liquid |
| pka | 11.67±0.46(Predicted) |
| color | Colorless to Almost colorless |
| Water Solubility | Slightly miscible with water. |
| Merck | 14,5206 |
| BRN | 1757046 |
| CAS DataBase Reference | 542-08-5(CAS DataBase Reference) |
| EPA Substance Registry System | Butanoic acid, 3-oxo-, 1-methylethyl ester (542-08-5) |
Safety information for Isopropyl acetoacetate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for Isopropyl acetoacetate
| InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
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