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526444 Sigma-Aldrich

2,4,5-Trimethylbenzoic acid

97%

  • CAS Number 528-90-5

  • Linear Formula (CH3)3C6H2CO2H

  • Molecular Weight 164.20

  •  MDL number MFCD00075863

  •  PubChem Substance ID 24874552

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
Quality Level   100
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

Description

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

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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