4-hydroxy-2-butanone
3-ketobutan-1-ol
Identification
| Name | 4-hydroxy-2-butanone |
| IUPAC | 4-hydroxybutan-2-one |
| CAS Number | 590-90-9 |
| EINECS | 209-693-6 |
| FDA UNII | TCM0BJ44MF |
| Molecular Formula | C4 H8 O2 |
| Molecular Weight | 88.10616000 |
| MDL Number | MFCD00059005 |
| Nikkaji Number | J24.210A |
| CoE Number | 11103 |
Regulatory
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 73.00 to 76.00 °C. @ 12.00 mm Hg, 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.053000 mmHg @ 25.00 °C. (est) |
| Flash Point | 192.00 °F. TCC ( 88.89 °C. ) |
| logP (o/w) | -0.739 (est) |
| Soluble in | alcohol |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 4-hydroxy-2-butanone usage levels up to | not for fragrance use. |
| Recommendation for 4-hydroxy-2-butanone flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
3-keto
butan-1-ol
3-oxo-1-
butanol
4-
hydroxybutan-2-one
methylol acetone
mono-
methylol acetone
PubMed:
Investigation of the Gas-Phase Photolysis and Temperature-Dependent OH Reaction Kinetics of 4-Hydroxy-2-butanone.
PubMed:
Asymmetric reduction of 4-hydroxy-2-butanone to (R)-1,3-butanediol with absolute stereochemical selectivity by a newly isolated strain of Pichia jadinii.
PubMed:
HS-SPME-GC-FID method for detection and quantification of Bacillus cereus ATCC 10702 mediated 2-acetyl-1-pyrroline.
PubMed:
First experimental determination of the absolute gas-phase rate coefficient for the reaction of OH with 4-hydroxy-2-butanone (4H2B) at 294 K by vapor pressure measurements of 4H2B.
PubMed:
Asymmetric synthesis of (R)-1,3-butanediol from 4-hydroxy-2-butanone by a newly isolated strain Candida krusei ZJB-09162.
PubMed:
Nanotube-supported bioproduction of 4-hydroxy-2-butanone via in situ cofactor regeneration.
PubMed:
Albumin-directed stereoselective reduction of 1,3-diketones and β-hydroxyketones to anti diols.
PubMed:
Design and synthesis of dually branched 5'-norcarbocyclic adenosine phosphonodiester analogue as a new anti-HIV prodrug.
PubMed:
Engineering of glycerol dehydrogenase for improved activity towards 1, 3-butanediol.
PubMed:
Continuous production of chiral 1,3-butanediol using immobilized biocatalysts in a packed bed reactor: promising biocatalysis method with an asymmetric hydrogen-transfer bioreduction.
PubMed:
Protonation thermochemistry of selected hydroxy- and methoxycarbonyl molecules.
PubMed:
Enhancing the synthetic utility of aldolase antibody 38C2.
PubMed:
Calculation of absolute protein-ligand binding affinity using path and endpoint approaches.
PubMed:
FTIR kinetic, product, and modeling study of the OH-initiated oxidation of 1-butanol in air.
PubMed:
Determination of alpha- and beta-hydroxycarbonyls and dicarbonyls in snow and rain samples by GC/FID and GC/MS employing benzyl hydroxyl oxime derivatization
PubMed:
Cloning and expression in Escherichia coli of a gene coding for a secondary alcohol dehydrogenase from Candida parapsilosis.
PubMed:
Purification and characterization of (S)-1,3-butanediol dehydrogenase from Candida parapsilosis.
PubMed:
Microbial Production of Optically Active 1,3-Butanediol from 4-Hydroxy-2-butanone.
PubMed:
The disposition of clavulanic acid in man.
PubMed:
High-performance liquid chromatographic assay of clavulanate in human plasma and urine by fluorimetric detection.
PubMed:
Absorption, metabolism and excretion studies on clavulanic acid in the rat and dog.
PubMed:
4-Hydroxy-2-butanone Thiosemicarbazone, a Potential Anticancer Agent.