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K401

Sigma-Aldrich

2-Ketobutyric acid

97%

Synonym(s):

2-Oxobutanoic acid, 2-Oxobutyric acid, α-Ketobutyric acid, Propionylformic acid

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About This Item

Linear Formula:
CH3CH2COCOOH
CAS Number:
600-18-0
Molecular Weight:
102.09
Beilstein/REAXYS Number:
1700514
EC Number:
209-986-9
MDL number:
MFCD00004164
UNSPSC Code:
12352100
PubChem Substance ID:
24896237
NACRES:
NA.22

assay

97%

form

liquid

bp

84 °C/20 mmHg (lit.)

mp

30-34 °C (lit.)

storage temp.

2-8°C

SMILES string

CCC(=O)C(O)=O

InChI

1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)

InChI key

TYEYBOSBBBHJIV-UHFFFAOYSA-N

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Application

2-Ketobutyric acid can be used as a reactant to synthesize:
  • (S)-2-Aminobutyric acid via enzyme-catalyzed amination reaction.
  • L-Isoleucine by living cell reaction in the presence of ethanol.
  • 3-Ethyl-2-quinoxalinol from 1,2-diaminobenzene in the presence of sulfuric acid.
  • 3-Ethylbenzo[g]quinoxalin-2(1H)-one using 2,3-diaminonaphthalene in the presence of biocatalyst.

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk_germany

WGK 3

flash_point_f

179.6 °F - closed cup

flash_point_c

82 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF3807V
WXBF3806V
WXBF3288V
BCCL5816
WXBF4631V

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Fabrication of a microcapsule extinguishing agent with a core-shell structure for lithium-ion battery fire safety
Zhang W, et al.
Materials Advances, 2, 4634-4642 (2021)
Synthesis of potential chemotherapic quinoxalinone derivatives by biocatalysis or microwave-assisted Hinsberg reaction
Gris J, et al.
Tetrahedron Letters, 49, 1053-1056 (2008)
Synthesis of 2-(Quinoxalin-2-ylamino-benzotriazolyl) Pentanedioic Derivatives as Potential Anti-Folate Agents
Briguglio I, et al.
Journal of Heterocyclic Chemistry, 53, 1721-1737 (2016)
Saad S El-Maraghy et al.
Heliyon, 6(7), e04384-e04384 (2020-07-17)
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