METHYL 2-KETOBUTYRATE, 96 Chemical Properties

Melting point:

-47 °C

Boiling point:

72-74℃ (27 Torr)

Density 

1.039±0.06 g/cm3 (20 ºC 760 Torr)

refractive index 

1.4099 (589.3 nm 30℃)

Flash point:

50°C

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform, Ethyl Acetate, Methanol

form 

Oil

color 

Clear Colourless

BRN 

1749847

InChI

1S/C5H8O3/c1-3-4(6)5(7)8-2/h3H2,1-2H3

InChIKey

XPIWVCAMONZQCP-UHFFFAOYSA-N

SMILES

CCC(=O)C(=O)OC

LogP

0.048 (est)

Safety Information

Hazard Codes 

Xi

Risk Statements 

10-36-43

Safety Statements 

26-36/37

RIDADR 

UN 1993C 3 / PGIII

WGK Germany 

3

HazardClass 

3

PackingGroup 

III

HS Code 

2918300090

Storage Class

3 - Flammable liquids

Hazard Classifications

Eye Dam. 1
Flam. Liq. 3
Skin Irrit. 2

METHYL 2-KETOBUTYRATE, 96 Usage And Synthesis

Uses

Methyl 2-oxobutanoate can be used as a starting material:

• To synthesize indole derivatives via Fischer indolization of arylhydrazines using propylphosphonic anhydride.
• In the synthesis of (?)-picrotoxinin, a natural product and neurotoxic sesquiterpenoid.
• To prepare the core structure of phalarine, a natural product found in perennial grass.

Uses

2-Oxobutanoic Acid Methyl Ester was found as a volatile constituent of curuba fruit and was screened for potential biological activity.

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