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607568

Sigma-Aldrich

2-Keto-3-methylbutyric acid-13C5,3-d sodium salt

98 atom % D, 99 atom % 13C

Synonym(s):

α-Keto-3-methylbutyric acid-13C5,3-d sodium, α-Ketoisovaleric acid-13C5,3-d sodium salt, 2-Ketoisovaleric acid-13C5,3-d sodium salt, 3-Methyl-2-oxobutanoic acid-13C5,3-d sodium salt, Ketovaline-13C5,3-d sodium salt, Sodium α-ketoisovalerate-13C5,3-d, Sodium 3-methyl-2-oxobutyrate-13C5,3-d

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About This Item

Linear Formula:
13CH313CD(13CH3)13CO13CO2Na
CAS Number:
Molecular Weight:
144.07
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
NACRES:
NA.12
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isotopic purity

99 atom % 13C
98 atom % D

Quality Level

form

solid

technique(s)

bio NMR: suitable

mp

227-230 °C (lit.)

mass shift

M+6

SMILES string

[Na+].[2H][13C]([13CH3])([13CH3])[13C](=O)[13C]([O-])=O

InChI

1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1,3+1D,4+1,5+1;

InChI key

WIQBZDCJCRFGKA-MLIDLTAPSA-M

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Show Differences

1 of 4

This Item
489328486876299197
mass shift

M+1

mass shift

M+1

mass shift

M+1

mass shift

M+1

isotopic purity

99 atom % 13C

isotopic purity

98 atom % D

isotopic purity

99 atom % 13C

isotopic purity

99 atom % 13C

Quality Level

200

Quality Level

200

Quality Level

200

Quality Level

200

density

0.933 g/mL at 25 °C

density

0.933 g/mL at 25 °C

density

0.990 g/mL at 25 °C

density

0.804 g/mL at 25 °C

mp

−80 °C (lit.)

mp

−80 °C (lit.)

mp

−100 °C (lit.)

mp

-94 °C (lit.)

bp

52-54 °C (lit.)

bp

52-54 °C (lit.)

bp

34 °C (lit.)

bp

56 °C (lit.)

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.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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