Methyl isobutyrylacetate
Synonym(s):Isobutyrylacetic acid methyl ester, Methyl 4-methyl-3-oxopentanoate;Methyl isobutyrylacetate
- CAS NO.：42558-54-3
- Empirical Formula: C7H12O3
- Molecular Weight: 144.17
- MDL number: MFCD00040499
- EINECS: 418-900-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-15 19:19:13
What is Methyl isobutyrylacetate?
Chemical properties
colorless to yellowish liquid
The Uses of Methyl isobutyrylacetate
Methyl isobutyrylacetate is used for the synthesis if heterocycles (Furane, Pyrazolone, Chinilone) and building block for pharmaceuticals (reducer of cholesterol). Product Data Sheet
The Uses of Methyl isobutyrylacetate
Isobutanoyl Methyl Acetate is a starting material in the synthesis of 3-Hydroxy-4-methylpentanoic Acid (H947700), which is isolated from Turkish tobacco leaves. It can be used to prepare 1,3-Polyol arrays via stereoselective rearrangement.
Flammability and Explosibility
Not classified
Properties of Methyl isobutyrylacetate
| Melting point: | -75°C |
| Boiling point: | 55-57 °C15 hPa(lit.) |
| Density | 1.013 g/mL at 20 °C(lit.) |
| vapor pressure | 1.46hPa at 25℃ |
| refractive index | 1.4265 |
| Flash point: | 79°C |
| storage temp. | Store below +30°C. |
| solubility | 43.6g/l |
| form | Oil |
| pka | 10.59±0.46(Predicted) |
| color | Colourless |
| PH | 4.8 (10g/l, H2O, 20℃) |
| explosive limit | 1.29%(V) |
| Water Solubility | 43.6g/L at 20℃ |
| BRN | 1857823 |
| CAS DataBase Reference | 42558-54-3(CAS DataBase Reference) |
Safety information for Methyl isobutyrylacetate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. P501:Dispose of contents/container to..… |
Computed Descriptors for Methyl isobutyrylacetate
| InChIKey | HNNFDXWDCFCVDM-UHFFFAOYSA-N |
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product: Methyl isobutyryl acetate 42558-54-3 99%
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