| Identification | Back Directory | [Name]
1-HYDROXY-2-BUTANONE | [CAS]
5077-67-8 | [Synonyms]
1-hydroxy-2-butanon
1-HYDROXY-2-BUTANONE
1-hydroxybutan-2-one
2-Butanone,1-hydroxy-
2-Butanone, 1-hydroxy- | [EINECS(EC#)]
225-790-6 | [Molecular Formula]
C4H8O2 | [MDL Number]
MFCD00010259 | [MOL File]
5077-67-8.mol | [Molecular Weight]
88.11 |
| Chemical Properties | Back Directory | [Melting point ]
15°C (estimate) | [Boiling point ]
160.05°C | [density ]
1.0272 | [FEMA ]
3173 | 1-HYDROXY-2-BUTANONE | [refractive index ]
1.4189 | [storage temp. ]
2-8°C | [form ]
Liquid | [pka]
12.96±0.10(Predicted) | [color ]
Colorless to light yellow | [Odor]
at 10.00 % in dipropylene glycol. sweet coffee musty grain malt butterscotch | [Odor Type]
coffee | [JECFA Number]
1717 | [InChI]
InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3 | [InChIKey]
GFAZHVHNLUBROE-UHFFFAOYSA-N | [SMILES]
C(O)C(=O)CC | [LogP]
-0.25 | [EPA Substance Registry System]
2-Butanone, 1-hydroxy- (5077-67-8) |
| Hazard Information | Back Directory | [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. | [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. | [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. | [Taste threshold values]
Taste characteristics at 30 ppm: brown, oily and alcoholic with toasted grain notes. |
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