3-Methyladipic acid

3-Methyladipic acid Property

Melting point:

100-102 °C (lit.)

Boiling point:

230 °C/30 mmHg (lit.)

Density 

1.197

refractive index 

1.4336 (estimate)

Flash point:

171 °C

storage temp. 

Store at -20°C

solubility 

DMF: 14 mg/ml; DMSO: 12 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 5 mg/ml

pka

4.66±0.10(Predicted)

form 

powder to crystal

color 

White to Almost white

Water Solubility 

198.7g/L(25.9 ºC)

CAS DataBase Reference

3058-01-3(CAS DataBase Reference)

Safety

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37

WGK Germany 

3

HS Code 

29171990

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

3-Methyladipic acid Chemical Properties,Usage,Production

Chemical Properties

white fine crystalline powder

Uses

3-Methyladipic acid is the final metabolite in the ω-oxidation pathway.

Definition

ChEBI: An alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 1488, 1975 DOI: 10.1021/jo00898a024

IC 50

Human Endogenous Metabolite

References

[1] Wierzbicki AS, et al. Refsum's disease: a peroxisomal disorder affecting phytanic acid alpha-oxidation. J Neurochem. 2002 Mar;80(5):727-35. DOI:10.1046/j.0022-3042.2002.00766.x