2,2-Dimethylbutyric acid Chemical Properties

Melting point:

-14°C

Boiling point:

94-96 °C/5 mmHg (lit.)

Density 

0.928 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.4154(lit.)

Flash point:

175 °F

storage temp. 

Refrigerator

solubility 

Chloroform (Sparingly), Methanol (Slightly)

pka

pK1:5.03 (18°C)

form 

Liquid

color 

Clear colorless to pale yellow

Specific Gravity

0.928

Decomposition 

176-178 ºC

BRN 

1720666

InChIKey

VUAXHMVRKOTJKP-UHFFFAOYSA-N

LogP

1-2.3 at 20℃ and pH2.5-6.7

CAS DataBase Reference

595-37-9(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 2,2-dimethyl-(595-37-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37-36

RIDADR 

3265

WGK Germany 

3

HazardClass 

8

PackingGroup 

III

HS Code 

29156000

MSDS

• Language:English Provider:2,2-Dimethylbutyric acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2,2-Dimethylbutyric acid Usage And Synthesis

Description

2,2-Dimethylbutyric acid is the intermediate of crucial importance in producing cardiovascular drugs, such as Simvastatin and agricultural chemicals, miticide spiral shell mite ester. It can also be used for rubber, dyestuff, etc. industries simultaneously. All 2,2-Dimethylbutyric acid production processes are that primary isoamyl alcohol and formic acid react under sulfuric acid catalysis. This technique's shortcoming is to produce a large amount of Waste Sulfuric Acids.

Chemical Properties

Colorless to light yellow or light green liquid

Uses

2,2-Dimethylbutyrate (DMB) is a potential treatment for thalassemia and hemoglobinopathies.

Definition

ChEBI: A branched-chain fatty acid and metabolite of the lactone prodrug simvastatin, whose sodium salt is potentially useful for the treatment of thalassaemias and haemoglobinopathies.

Synthesis Reference(s)

Synthetic Communications, 19, p. 1945, 1989 DOI: 10.1080/00397918908052587

Synthesis

Adding 15 to 25 parts by weight of solid acid catalyst, 150 to 170 parts by weight of isoamyl alcohol, and 15 to 20 parts by weight of sulfuric acid into a high-pressure reactor, evenly stirring to obtain a reaction mixture, introducing nitrogen gas into the reactor, introducing CO into the reaction mixture at a temperature of 85 to 90 ℃, maintaining a pressure of 0.1 to 0.15 MPa until the pressure starts to rise; cooling to the room temperature, introducing nitrogen gas into the reactor to replace the CO gas, discharging materials from the reactor, filtering to obtain the solid acidified catalyst; adding 5 to 15 parts by weight of saturated sodium chloride water solution into the filtrate, evenly stirring, allowing the system to stand still, removing the lower water layer, and rectifying the upper oil layer to obtain the product 2,2-Dimethylbutyric acid.

2,2-Dimethylbutyric acid(595-37-9)Related Product Information

• 2,2-DIMETHYLVALERIC ACID
• N,N-Dimethylpropionamide
• 2,2-Dimethylbutyryl chloride
• CELLULOSE ACETATE BUTYRATE
• Citric acid
• Chlorambucil
• Folic acid
• Butyric Acid
• MCPB
• Indole-3-butyric acid
• Ethyl 2-(Chlorosulfonyl)acetate
• 4-Aminobutyric acid
• Hydrocortisone-17-butyrate
• 2-Methyl butyric acid
• Ascoric Acid
• 3,3-Dimethylbutyric acid
• 2-Oxo-3,3-dimethylbutyric acid
• L-tert-Leucine