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607533

Sigma-Aldrich

2-Ketobutyric acid-4-13C,3,3,4,4,4-d5 sodium salt hydrate

48-70 atom % D (13CD3), 97 atom % D (CD2), 99 atom % 13C, 98% (CP)

Synonym(s):

α-Keto-butyric acid-4-13C,3,3,4,4,4-d5 sodium, α-Ketobutyric acid-4-13C,3,3,4,4,4-d5 sodium salt, 2-Oxobutanoic acid-4-13C.3,3,4,4,5-d5 sodium salt, Sodium α-ketobutyrate-4-13C,3,3,4,4,4-d5

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About This Item

Linear Formula:
13CD3CD2COCO2Na · xH2O
Molecular Weight:
130.09 (anhydrous basis)
MDL number:
MFCD05664358
UNSPSC Code:
12352106
PubChem Substance ID:
329759206
NACRES:
NA.12

isotopic purity

99 atom % 13C
48-70 atom % D (13CD3)
97 atom % D (CD2)

assay

98% (CP)

form

solid

technique(s)

bio NMR: suitable

mp

210 °C (dec.) (lit.)

mass shift

M+6

SMILES string

O.[Na+].[2H][13C]([2H])([2H])C([2H])([2H])C(=O)C([O-])=O

InChI

1S/C4H6O3.Na.H2O/c1-2-3(5)4(6)7;;/h2H2,1H3,(H,6,7);;1H2/q;+1;/p-1/i1+1D3,2D2;;

InChI key

PVLJVKQSCAHPPR-RWBNLZSCSA-M

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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