MilliporeSigma
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198994

Sigma-Aldrich

Sodium 3-methyl-2-oxobutyrate

greener alternative

95%

Synonym(s):
α-Ketoisovaleric acid sodium salt, 2-Keto-3-methylbutyric acid sodium salt, 3-Methyl-2-oxobutanoic acid sodium salt, 3-Methyl-2-oxobutyric acid sodium salt, Ketovaline sodium salt
Linear Formula:
(CH3)2CHCOCOONa
CAS Number:
Molecular Weight:
138.10
Beilstein:
4334552
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

assay

95%

form

solid

greener alternative product score

old score: 14
new score: 9
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greener alternative product characteristics

Waste Prevention
Atom Economy
Safer Solvents and Auxiliaries
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mp

220-230 °C (dec.) (lit.)

solubility

water: soluble 100 mg/mL, clear, colorless

greener alternative category

SMILES string

[Na+].CC(C)C(=O)C([O-])=O

InChI

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

InChI key

WIQBZDCJCRFGKA-UHFFFAOYSA-M

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Application

Sodium 3-methyl-2-oxobutyrate (3-Methyl-2-oxobutanoic acid sodium salt) was used in the synthesis of (S)-2-hydroxy-3-methylbutanoic acid.

Packaging

5, 25 g in glass bottle

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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