ChemicalBook--->CAS DataBase List--->5077-67-8

5077-67-8

5077-67-8 Structure

5077-67-8 Structure
IdentificationBack 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 PropertiesBack 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)
Safety DataBack Directory
[RIDADR ]

1993
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

3-Buten-2-one, 1-hydroxy--->2-OXOBUTANALDEHYDE-->Tetrahydrofuran
Hazard InformationBack 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.
[Uses]

1-HYDROXY-2-BUTANONE is used to synthesize the anti-tuberculosis drug ethambutol.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-HYDROXY-2-BUTANONE(5077-67-8)1HNMR
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