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Merck

K401

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24896237
EC Number:
209-986-9
Beilstein/REAXYS Number:
1700514
MDL number:
MFCD00004164

Key Documents

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Product Name

2-Ketobutyric acid, 97%

InChI key

TYEYBOSBBBHJIV-UHFFFAOYSA-N

InChI

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

SMILES string

CCC(=O)C(O)=O

assay

97%

form

liquid

bp

84 °C/20 mmHg (lit.)

mp

30-34 °C (lit.)

storage temp.

2-8°C

Quality Level

100

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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.

General description

2-Ketobutyric acid, also known as alpha-ketobutyrateor 2-oxobutyrate, belongs to the category of short-chain keto acids andderivatives with alkyl chains containing less than 6 carbon atoms.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

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
BCCP0552
WXBF7092V
BCCN1382
BCCM9057
WXBF5150V

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Gris J, et al.
Tetrahedron Letters, 49, 1053-1056 (2008)
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