Isopropyl acetoacetate
- CAS No.
- 542-08-5
- Chemical Name:
- Isopropyl acetoacetate
- Synonyms
- IPAA;ACIP;Isopropylacetoactetate;Isopropylacetoacetat;Isopropyl acetoaceta;ISOPROPYL ACETOACETATE;Isopropyl3-oxobutyrate;Nimodipine Impurity 67;Isopropyl3-oxobutanoate;IsopropylAcetoacetate>
- CBNumber:
- CB1293982
- Molecular Formula:
- C7H12O3
- Molecular Weight:
- 144.17
- MDL Number:
- MFCD00043933
- MOL File:
- 542-08-5.mol
- MSDS File:
- SDS
| 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 |
| storage temp. | Storage temp. 2-8°C |
| solubility | Chloroform, Ethyl Acetate, Methanol, Toluene, |
| pka | 11.67±0.46(Predicted) |
| form | Colourless Liquid |
| color | Colorless to Almost colorless |
| Water Solubility | Slightly miscible with water. |
| Merck | 14,5206 |
| BRN | 1757046 |
| InChI | 1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3 |
| InChIKey | GVIIRWAJDFKJMJ-UHFFFAOYSA-N |
| SMILES | CC(C)OC(=O)CC(C)=O |
| LogP | 1.060 (est) |
| CAS DataBase Reference | 542-08-5(CAS DataBase Reference) |
| FDA UNII | 38GTB2C6XC |
| EPA Substance Registry System | Butanoic acid, 3-oxo-, 1-methylethyl ester (542-08-5) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H227-H319-H335 | |||||||||
| Precautionary statements | P210e-P261-P280a-P305+P351+P338-P405-P501a | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 38 | |||||||||
| Safety Statements | 26-36-24/25 | |||||||||
| WGK Germany | 1 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29183000 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications | Skin Irrit. 2 | |||||||||
| REACH Registrations | Active | |||||||||
| NFPA 704 |
|
Isopropyl acetoacetate price More Price(28)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 689092 | Isopropyl acetoacetate Lonza quality, ≥99.0% (GC) | 542-08-5 | 1kg | $166 | 2026-04-30 | Buy |
| Sigma-Aldrich | 689092 | Isopropyl acetoacetate Lonza quality, ≥99.0% (GC) | 542-08-5 | 25kg | $2760 | 2026-04-30 | Buy |
| TCI Chemical | I0826 | Isopropyl Acetoacetate >97.0%(GC) | 542-08-5 | 25g | $31 | 2026-04-30 | Buy |
| TCI Chemical | I0826 | Isopropyl Acetoacetate >97.0%(GC) | 542-08-5 | 500g | $283 | 2026-04-30 | Buy |
| TRC | TRC-I823725-50G | Isopropyl Acetoacetate | 542-08-5 | 50g | $148 | 2026-06-03 | Buy |
Isopropyl acetoacetate Chemical Properties, Uses, Production
Chemical Properties
Colourless Liquid
Uses
Isopropyl acetoacetate (IPAA) is used as intermediate for chemical synthesis. Product Data Sheet
Uses
Isopropyl acetoacetate is used as an intermediate for the manufacturing of agrochemicals and pharmaceutical products such as isradipine.
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
Synthesis
In a 500 ml flask equipped with stirring, a thermometer and a reflux condenser tube, 150 g (2.5 mol) of isopropanol and 0.36 g of triethylamine were added, and 210 g (2.5 mol) of bis(vinylidene) ketone was added dropwise at room temperature, and the reaction temperature was controlled to be at 70 during the reaction process, and at the end of the dropwise addition, the temperature was controlled to be at 70 and kept warm for 6 hours to end the reaction. The crude ester was distilled under negative pressure to obtain the finished product isopropyl acetoacetate 343g, yield 95.2%, content 99.3%.
Isopropyl acetoacetate Preparation Products And Raw materials
Raw materials
Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| BTC Pharmaceutical CO. Ltd | +86-15716293042 15716293042 | info@btcpharm.com | China | 822 | 55 |
| Hubei Wande Chemical Co., Ltd | 15377098680 15377098680 | 1148280011@qq.com | China | 9436 | 58 |
| Hubei Word Chemical Technology Co., Ltd. | 15972179313 15972179313 | 2562513574@qq.com | China | 948 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Beijing dtftchem Technology Co., Ltd. | 010-60275820 13031183356 | elainezt@sina.com | China | 1386 | 62 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
View Latest Price from Isopropyl acetoacetate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-18 | Isopropyl acetoacetate
542-08-5
|
$1.00 | 300g | 99.8% | 20 TONS | .GZ HONESTCHEM CO.,LTD | |
 |
2026-09-18 | Isopropyl acetoacetate
542-08-5
|
0.99 | RongNa Biotechnology Co.,Ltd | ||||
 |
2026-08-25 | isopropyl acetoacetate
542-08-5
|
$2.00-5.00 | 99% | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD |
-
- Isopropyl acetoacetate
542-08-5
- $1.00
- 99.8%
- .GZ HONESTCHEM CO.,LTD
-
- Isopropyl acetoacetate
542-08-5
- 0.99
- RongNa Biotechnology Co.,Ltd
-
- isopropyl acetoacetate
542-08-5
- $2.00-5.00
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
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