2-(4-Chlorophenyl)-3-methylbutyric acid Chemical Properties

Melting point:

87-91 °C(lit.)

Boiling point:

318.7±17.0 °C(Predicted)

Density 

1.184±0.06 g/cm3(Predicted)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (slightly), DMSO (Slightly)

form 

powder to crystal

pka

4.13±0.10(Predicted)

color 

White to Orange to Green

CAS DataBase Reference

2012-74-0(CAS DataBase Reference)

EPA Substance Registry System

Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)- (2012-74-0)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

RTECS 

ES8450000

HS Code 

2916399090

MSDS

• Language:English Provider:SigmaAldrich

2-(4-Chlorophenyl)-3-methylbutyric acid Usage And Synthesis

Uses

2-(4-Chlorophenyl)-3-methylbutanoic Acid can be used for the multi-residue analysis of organic pollutants in hair and urine for matrices composition.

Definition

ChEBI: A monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position.

Synthesis

To a xylene dispersion of fine potassium hydroxide with a particle size of less than 100 μm (26 g, 0.33 mol) prepared by the method of Example 1, 50 ml of a xylene solution of isopropyl chloride (37.5 g, 0.22 mol) was added. The mixed solution was added dropwise in about 10 minutes, followed by a continuous reaction at 70°C to 80°C for 50 minutes. Upon completion of the reaction, the reaction mixture was poured into 300 ml of water and the aqueous and organic layers were separated. The organic layer was concentrated and xylene was removed by distillation and finally subjected to reduced pressure distillation to give 43 g of α-isopropyl-4-chlorophenylacetic acid (91% yield, melting point 88°-89°C).

References

[1] Patent: US4307034, 1981, A

2-(4-Chlorophenyl)-3-methylbutyric acid(2012-74-0)Related Product Information

• 4-Chlorobenzaldehyde
• Isovaleric acid
• 4-Chlorophenylacetic acid
• Esfenvalerate
• BENZENEACETIC ACID, 4-CHLORO-A-(1-METHYLETHYL)-, CYANO(4-PHENOXYPHENYL)METHYL ESTER, (R*,S*)-
• 2-(4-Chlorophenyl)-3-methylbutyric acid
• ESFENVALERATE FREE ACID METABOLITE
• VALERATE
• Fenvalerate
• (S)-2-(4'-CHLOROPHENYL)-2-(2''-OXOCYCLOHEXYL)GLYCOLIC ACID ETHYL ESTER