4-Methylphenylacetic acid Chemical Properties

Melting point:

88-92 °C (lit.)

Boiling point:

265-267 °C (lit.)

Density 

1.0858 (rough estimate)

refractive index 

1.5002 (estimate)

Flash point:

265-267°C

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

pka

pK1:4.370 (25°C)

form 

Fine Crystalline Powder

color 

White

BRN 

2043528

InChI

InChI=1S/C9H10O2/c1-7-2-4-8(5-3-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

GXXXUZIRGXYDFP-UHFFFAOYSA-N

SMILES

C1(CC(O)=O)=CC=C(C)C=C1

CAS DataBase Reference

622-47-9(CAS DataBase Reference)

NIST Chemistry Reference

p-Tolylacetic acid(622-47-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-24/25

WGK Germany 

3

RTECS 

AJ7569000

HazardClass 

IRRITANT

HS Code 

29163900

MSDS

• Language:English Provider:4-Methylphenylacetic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Methylphenylacetic acid Usage And Synthesis

Chemical Properties

white fine crystalline powder

Uses

p-Tolylacetic acid is a reagent used in the preparation of quaternary amines and epithelial sodium channel inhibition in bronchial epithelium.

Synthesis Reference(s)

The Journal of Organic Chemistry, 48, p. 1919, 1983 DOI: 10.1021/jo00159a031
Tetrahedron Letters, 28, p. 2633, 1987 DOI: 10.1016/S0040-4039(00)96167-7

Purification Methods

Crystallise the acid from heptane or water. [Beilstein 9 IV 1795.]

4-Methylphenylacetic acid(622-47-9)Related Product Information

• DL-α-Tocopherol
• Hyaluronic acid
• 4-(Diethylamino)salicylaldehyde
• Ethyl 2-(Chlorosulfonyl)acetate
• 4-Methylbenzyl cyanide
• Pralmorelin
• 5-Chlorovaleric acid
• Citric acid
• 2-Hydroxyphenylacetic acid
• 2-Methyl-3-nitro-benzeneacetic acid
• 4-Hydroxyphenylacetic acid
• 4-Methoxyphenylacetic acid
• Folic acid
• Diphenolic acid
• 4'-Methylacetophenone
• 2-Phenylisobutyric acid
• 4-Methylphenethylamine
• Ascoric Acid