| Isobutyl acetoacetate Basic information |
| Product Name: | Isobutyl acetoacetate |
| Synonyms: | 3-Oxobutanoic acid isobutyl ester;3-Oxobutyric acid isobutyl ester;Acetoacetic acid 2-methylpropyl ester;Isobutyl Acetoacetate, 98.0%(GC);3-oxo-butanoicaci2-methylpropylester;Isobutyl 3-oxobutanoate;ACIB;ACETOACETIC ACID ISOBUTYL ESTER |
| CAS: | 7779-75-1 |
| MF: | C8H14O3 |
| MW: | 158.2 |
| EINECS: | 231-937-5 |
| Product Categories: | Organics;C8 to C9;Carbonyl Compounds;Esters |
| Mol File: | 7779-75-1.mol |
| Isobutyl acetoacetate Chemical Properties |
| Melting point | 177-179 °C(Solv: ethyl ether (60-29-7)) |
| Boiling point | 100 °C/22 mmHg (lit.) |
| density | 0.98 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 2177 | ISOBUTYL ACETOACETATE |
| Fp | 173 °F |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| pka | 10?+-.0.46(Predicted) |
| form | liquid |
| color | clear |
| JECFA Number | 597 |
| BRN | 1761405 |
| CAS DataBase Reference | 7779-75-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 3-oxo-, 2-methylpropyl ester(7779-75-1) |
| EPA Substance Registry System | Butanoic acid, 3-oxo-, 2-methylpropyl ester (7779-75-1) |
| Safety Information |
| WGK Germany | 3 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| Isobutyl acetoacetate Usage And Synthesis |
| Description | Isobutyl acetoacetate has a sweet, winey, brandy-like odor and a sweet and slightly fruity flavor. May be prepared from isobutyl acetate by heating in the presence of sodium isobutylate. |
| Chemical Properties | Isobutyl acetoacetate has a sweet, winy, brandy-like odor and a sweet and slightly fruity flavor. |
| Chemical Properties | Clear liquid |
| Uses | Isobutyl acetoacetate is used as intermediate for the production of pharmaceuticals (e.g. Nisoldipine). Product Data Sheet |
| Uses | Isobutyl Acetoacetate is a building block that has been used as a reactant in the preparation of b-annulated 1,4-dihydropyridine derivatives as TGFβ signaling inhibitors. |
| Preparation | From isobutyl acetate by heating in the presence of sodium isobutylate. |
| Isobutyl acetoacetate Preparation Products And Raw materials |
| Raw materials | 2-Methyl-1-propanol-->Acetyl ketene-->METHANE-->Isobutyl acetate |
| Preparation Products | Nisoldipine |
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