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526444

Sigma-Aldrich

2,4,5-Trimethylbenzoic acid

97%

Linear Formula:
(CH3)3C6H2CO2H
CAS Number:
Molecular Weight:
164.20
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

mp

150-153 °C (lit.)

SMILES string

Cc1cc(C)c(cc1C)C(O)=O

InChI

1S/C10H12O2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3,(H,11,12)

InChI key

QENJZWZWAWWESF-UHFFFAOYSA-N

Related Categories

General description

Crystal structure of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA) has been determined by X-ray studies. Two molecules of 2,4,5-TMBA on association affords centrosymmetric carboxyl dimers. 2,4,5-TMBA can be synthesized from pseudocumene. Vibrational analysis of monomeric and dimeric foms of 2,4,5-TMBA have been reported.

Packaging

5 g in glass bottle

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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