Sodium 3-methyl-2-oxobutanoate Chemical Properties

Melting point:

220-230 °C (dec.) (lit.)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

water: soluble100mg/mL, clear, colorless

form 

Crystalline Powder or Crystals

color 

White or slightly yellow to beige

Odor

fruity

Water Solubility 

>54.8 mg/mL in Water

JECFA Number

631.1

BRN 

4334552

InChI

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

InChIKey

WIQBZDCJCRFGKA-UHFFFAOYSA-M

SMILES

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

LogP

-0.36

CAS DataBase Reference

3715-29-5(CAS DataBase Reference)

Safety Information

Safety Statements 

24/25

WGK Germany 

3

HS Code 

29183000

MSDS

• Language:English Provider:3-Methyl-2-oxobutanoic acid sodium salt
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

Sodium 3-methyl-2-oxobutanoate Usage And Synthesis

Chemical Properties

white or slightly yellow to beige crystalline

Chemical Properties

3-Methyl-2-oxobutanoic acid has a fruity aroma.

Occurrence

Reported found in banana, bread, blue and provolone cheeses, asparagus, beer and cocoa

Uses

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

Uses

An α-keto ester derivative.

Definition

ChEBI: Sodium-3-methyl-2-oxobutyrate is an oxo carboxylic acid.

in vitro

Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli. Sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) enhances alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid but diminishes the corresponding amino acids and causes an early decline of ornithine along with a late augmentation of plasma arginine.

in vivo

In rats, sodium 3-methyl-2-oxobutanoate (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms.

Sodium 3-methyl-2-oxobutanoate(3715-29-5)Related Product Information

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