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198994 Sigma-Aldrich

Sodium 3-methyl-2-oxobutyrate

Green Alternative

95%

Synonym: 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

  • CAS Number 3715-29-5

  • Linear Formula (CH3)2CHCOCOONa

  • Molecular Weight 138.10

  •  Beilstein/REAXYS Number 4334552

  •  EC Number 223-062-2

  •  MDL number MFCD00002581

  •  PubChem Substance ID 24851887

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Carbonyl Compounds, Carboxylic Acid Salts, Chemical Synthesis, Greener Alternative Products,
assay   95%
greener alternative product score   old score: 14
new score: 9
Find out more about DOZN™ Scoring.
greener alternative product characteristics   Waste Prevention
Atom Economy
Safer Solvents and Auxiliaries
Learn more about the Principles of Green Chemistry.
mp   220-230 °C (dec.) (lit.)
solubility   water: soluble 100 mg/mL, clear, colorless
greener alternative category   Re-engineered
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

Description

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

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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