2,3-Dimethylbenzoic acid Chemical Properties

Melting point:

144-146 °C (lit.)

Boiling point:

271.51°C (estimate)

Density 

1.0937 (estimate)

refractive index 

1.5188 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to crystal

pka

pKa: 3.771(25°C)

color 

White to Almost white

BRN 

971590

InChI

InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey

RIZUCYSQUWMQLX-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=CC=CC(C)=C1C

CAS DataBase Reference

603-79-2(CAS DataBase Reference)

NIST Chemistry Reference

Benzoic acid, 2,3-dimethyl-(603-79-2)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36-36/37/39-22

WGK Germany 

3

RTECS 

DG8734000

HazardClass 

IRRITANT

HS Code 

29163990

MSDS

• Language:English Provider:2,3-Dimethylbenzoic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,3-Dimethylbenzoic acid Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

2,3-Dimethylbenzoic Acid is used as a reagent in the synthesis of pyridyl benzamides as inhibitors for the kinetoplastid Trypanosoma brucei. 2,3-Dimethylbenzoic Acid is also used as a reagent in the synthesis of 2,3-Dihydro-1H-isoindole-4-carboxylic Acid (D450070) which is a reagent used in the synthesis of aminoalkylbenzoic acid derivatives for the treatment of faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, neuropathic pain, neuropathological disorders and sleep disorders.

Definition

ChEBI: A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3.

General Description

2,3-Dimethylbenzoic acid shows high binding affinity with antenna-specific odorant-binding protein of the alfalfa plant bug, Adelphocoris lineolatus.

Purification Methods

Crystallise the acid from EtOH. It is volatile in steam. The amide has m 156o (from H2O). [Beilstein 9 H 531, 9 III 2434, 9 IV 1797.]

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