Ethyl 2-hydroxyisobutyrate
Synonym(s):Ethyl 2-hydroxy-2-methylpropionate
- CAS NO.：80-55-7
- Empirical Formula: C6H12O3
- Molecular Weight: 132.16
- MDL number: MFCD00004458
- EINECS: 201-290-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-08 13:24:36
What is Ethyl 2-hydroxyisobutyrate?
Description
Ethyl 2-hydroxyisobutyrate (E-2HIBA) has a wide range of applications in flavor and fragrance ingredients, green solvents, and pharmaceuticals. E-2HIBA has been synthesized by the batch transesterification of methyl 2-hydroxyisobutyrate with ethanol in the presence of titanium tetraethoxide (reaction conditions: 96 h, yield 97 %) and the esterification of 2-HIBA with an acid catalyst. The direct esterification of 2-HIBA with ethanol using an acid catalyst appears to be a commercially viable approach to produce E-2HIBA [1].
Chemical properties
clear colorless liquid
The Uses of Ethyl 2-hydroxyisobutyrate
Solvent for nitrocellulose and cellulose acetate; solvent mixture for cellulose ethers, organic synthesis, pharmaceuticals.
References
[1] Sripada, Sarada and James R. Kastner. “Continuous catalytic esterification using a solid acid activated carbon monolith: Comparison of granular and monolith forms with a commercial catalyst.” Chemical Engineering Journal 43 29 (2023): 0.
Properties of Ethyl 2-hydroxyisobutyrate
| Melting point: | 78 °C |
| Boiling point: | 150 °C (lit.) |
| Density | 0.965 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 112 °F |
| storage temp. | Flammables area |
| form | clear liquid |
| pka | 13.28±0.29(Predicted) |
| color | Colorless to Almost colorless |
| BRN | 878308 |
| InChI | InChI=1S/C6H12O3/c1-4-9-5(7)6(2,3)8/h8H,4H2,1-3H3 |
| CAS DataBase Reference | 80-55-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester(80-55-7) |
| EPA Substance Registry System | Propanoic acid, 2-hydroxy-2-methyl-, ethyl ester (80-55-7) |
Safety information for Ethyl 2-hydroxyisobutyrate
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P370+P378:In case of fire: Use … for extinction. |
Computed Descriptors for Ethyl 2-hydroxyisobutyrate
| InChIKey | GFUIDHWFLMPAGY-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(O)(C)C |
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