4-Hydroxy-2-butanone
Synonym(s):2-Hydroxyethyl methyl ketone
- CAS NO.：590-90-9
- Empirical Formula: C4H8O2
- Molecular Weight: 88.11
- MDL number: MFCD00059005
- EINECS: 209-693-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:15:32
What is 4-Hydroxy-2-butanone?
Chemical properties
Colourless to pale yellow liquid
The Uses of 4-Hydroxy-2-butanone
4-Hydroxy-2-butanone is used in the preparation of fused benzazepine molecules as selective D3 receptor antagonists with pharmaceutical activity. It is also used in the preparation of verrucarin and mevalonic acid lactone. Further, it is used to prepare 3-buten-2-one through dehydration over an anatase titanium dioxide catalyst. It is also employed in the preparation of 4-methyl-5-hydroxymethylthiazole, (±)-lineatin and beta-hydroxylactones.
Definition
ChEBI: A beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4.
What are the applications of Application
4-Hydroxy-2-butanone has been used in the synthesis of:
- 3-buten-2-one via dehydration over anatase-TiO2 catalyst
- 4-methyl-5-hydroxymethylthiazole
- (±)-lineatin
- mevalonic acid lactone
- verrucarin
- β-hydroxylactones
General Description
4-Hydroxy-2-butanone is an important pharmaceutical intermediate. Gas phase reaction of the OH radicals with 4-hydroxy-2-butanone has been investigated by absolute rate method.
Properties of 4-Hydroxy-2-butanone
| Melting point: | 15°C (estimate) |
| Boiling point: | 73-76 °C/12 mmHg (lit.) |
| Density | 1.023 g/mL at 25 °C (lit.) |
| refractive index | 1.430 |
| Flash point: | 91°F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform, Methanol (Slightly) |
| form | Oil |
| pka | 14.43±0.10(Predicted) |
| color | Clear Colourless |
| Water Solubility | Miscible with water, alcohol, ethanol and ether. |
| BRN | 1737666 |
| CAS DataBase Reference | 590-90-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Hydroxy-2-butanone(590-90-9) |
| EPA Substance Registry System | 2-Butanone, 4-hydroxy- (590-90-9) |
Safety information for 4-Hydroxy-2-butanone
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids 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 4-Hydroxy-2-butanone
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