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3715-29-5

3715-29-5 Structure

3715-29-5 Structure
IdentificationMore
[Name]

Sodium 3-methyl-2-oxobutanoate
[CAS]

3715-29-5
[Synonyms]

2-KETOISOVALERIC ACID SODIUM SALT
3-METHYL-2-OXOBUTANOIC ACID, NA SALT
3-METHYL-2-OXOBUTANOIC ACID SODIUM SALT
3-METHYL-2-OXOBUTYRIC ACID SODIUM SALT
ALPHA-KETOISOVALERIC ACID SODIUM SALT
KETOVALINE SODIUM SALT
Sodium 3-methyl-2-oxobutanoate
SODIUM 3-METHYL-2-OXOBUTYRATE
SODIUM ALPHA-KETOISOVALERATE
A-ketoisovaleric acid sodium
α-Ketoisovaleric acid sodium salt
ALPHA-KETOISOVALERIC ACID SODIUM SALT CRYSTALLINE
3-Methyl-2-oxobutanoic acid, sodium salt, 98+%
alpha-Ketoisovaleric Acid, Sodium Salt-dimethyl-13C2
alpha-Ketoisovaleric Acid, Sodium Salt-UL-13C5
alpha-Ketoisovaleric Acid, Sodium Salt-UL-13C5, 3-D1
Butanoic acid, 3-methyl-2-oxo-, sodium salt
3-Methyl-2-oxobutanoic acid sodium salt, titr 98%
α-Ketoisovaleric Acid, Sodium Salt-UL-13C5, 3-D1
α-Ketoisovaleric Acid, Sodium Salt-UL-13C5
[EINECS(EC#)]

223-062-2
[Molecular Formula]

C5H7NaO3
[MDL Number]

MFCD00002581
[Molecular Weight]

138.1
[MOL File]

3715-29-5.mol
Chemical PropertiesBack Directory
[Appearance]

white or slightly yellow to beige crystalline
[Melting point ]

220-230 °C (dec.) (lit.)
[storage temp. ]

Store at 0-5°C
[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 DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

29183000
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methyl-2-oxobutanoic acid sodium salt(3715-29-5).msds
Hazard InformationBack Directory
[Chemical Properties]

3-Methyl-2-oxobutanoic acid has a fruity aroma.
[Chemical Properties]

white or slightly yellow to beige crystalline
[Occurrence]

Reported found in banana, bread, blue and provolone cheeses, asparagus, beer and cocoa
[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.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Sodium 3-methyl-2-oxobutanoate(3715-29-5)1HNMR
Sodium 3-methyl-2-oxobutanoate(3715-29-5)13CNMR
Sodium 3-methyl-2-oxobutanoate(3715-29-5)IR1
Sodium 3-methyl-2-oxobutanoate(3715-29-5)IR2
Sodium 3-methyl-2-oxobutanoate(3715-29-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methyl-2-oxobutanoic acid, sodium salt, 98+%(3715-29-5)
[Sigma Aldrich]

3715-29-5(sigmaaldrich)
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