1-HYDROXY-2-BUTANONE
- CAS NO.：5077-67-8
- Empirical Formula: C4H8O2
- Molecular Weight: 88.11
- MDL number: MFCD00010259
- EINECS: 225-790-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 23:02:33
What is 1-HYDROXY-2-BUTANONE?
Description
May be synthesized from l-chlorobutan-2-one by hydrolysis or by heating the chloro compound with potassium formate in methanol; the ethyl ester may be prepared by bacterial oxidation of the corresponding glycol with Aspergillus niger.
Chemical properties
Colorless liquid
Occurrence
Reported found in coffee and mushrooms.
Preparation
From 1-chlorobutan-2-one by hydrolysis or by heating the chloro compound with potassium formate in methanol; the ethyl ester may be prepared by bacterial oxidation of the corresponding glycol with Aspergillus niger.
Definition
ChEBI: 1-hydroxybutan-2-one is a primary alpha-hydroxy ketone that is butane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone. It is functionally related to a butan-2-one and a butane-1,2-diol.
Taste threshold values
Taste characteristics at 30 ppm: brown, oily and alcoholic with toasted grain notes.
Properties of 1-HYDROXY-2-BUTANONE
| Melting point: | 15°C (estimate) |
| Boiling point: | 160.05°C |
| Density | 1.0272 |
| refractive index | 1.4189 |
| FEMA | 3173 | 1-HYDROXY-2-BUTANONE |
| storage temp. | 2-8°C |
| pka | 12.96±0.10(Predicted) |
| form | Liquid |
| color | Colorless to light yellow |
| Odor | at 10.00 % in dipropylene glycol. sweet coffee musty grain malt butterscotch |
| JECFA Number | 1717 |
| EPA Substance Registry System | 2-Butanone, 1-hydroxy- (5077-67-8) |
Safety information for 1-HYDROXY-2-BUTANONE
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225: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 |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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. P501:Dispose of contents/container to..… |
Computed Descriptors for 1-HYDROXY-2-BUTANONE
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