ChemicalBook--->CAS DataBase List--->590-90-9

590-90-9

590-90-9 Structure

590-90-9 Structure
IdentificationMore
[Name]

4-Hydroxy-2-butanone
[CAS]

590-90-9
[Synonyms]

2-HYDROXYETHYL METHYL KETONE
4-HYDROXY-2-BUTANONE
2-Butanone, 4-hydroxy-
2-Butanone,4-hydroxy-
3-Ketobutan-1-ol
3-Oxo-1-butanol
3-Oxobutanol
4-Butanol-2-one
4-hydroxy-2-butanon
CH3C(O)CH2CH2OH
Methylolacetone
Monomethylolacetone
4-hydroxybutan-2-one
4-Hydroxy-2-butanone,95%
ketobutanol
1-Hydroxy-3-butanone
[EINECS(EC#)]

209-693-6
[Molecular Formula]

C4H8O2
[MDL Number]

MFCD00059005
[Molecular Weight]

88.11
[MOL File]

590-90-9.mol
Chemical PropertiesBack Directory
[Melting point ]

15°C (estimate)
[Boiling point ]

73-76 °C/12 mmHg (lit.)
[density ]

1.023
[refractive index ]

1.430
[Fp ]

91°F
[storage temp. ]

Inert atmosphere,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
[LogP]

-1.209 at 25℃
[CAS DataBase Reference]

590-90-9(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Hydroxy-2-butanone(590-90-9)
[EPA Substance Registry System]

590-90-9(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29144000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Potassium carbonate-->Acetone-->Formaldehyde-->Paraformaldehyde-->Methyl vinyl ketone-->Vitamin A
[Preparation Products]

Methyl vinyl ketone-->2-Methyl-1,3-dioxolane-2-ethanol-->4-bromobutan-2-one-->(S)-(+)-1,3-BUTANEDIOL-->(R)-(-)-1,3-Butanediol-->3-Methyl-1,3-butanediol-->1-Bromo-4-hydroxy-2-butanone (>90%)
Hazard InformationBack Directory
[Chemical Properties]

Colourless to pale yellow liquid
[Uses]

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.
[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
[Definition]

ChEBI: A beta-hydroxy ketone that is butan-2-one substituted by a hydroxy group at position 4.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Hydroxy-2-butanone(590-90-9)MS
4-Hydroxy-2-butanone(590-90-9)1HNMR
4-Hydroxy-2-butanone(590-90-9)13CNMR
4-Hydroxy-2-butanone(590-90-9)IR1
4-Hydroxy-2-butanone(590-90-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Hydroxy-2-butanone, 95%(590-90-9)
[Sigma Aldrich]

590-90-9(sigmaaldrich)
[TCI AMERICA]

4-Hydroxy-2-butanone,>95.0%(GC)(590-90-9)
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