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CS-W001157 4
Total: USD 88.00

2,4,6-Trimethylbenzoic acid

  • CAS No. 480-63-7

  • Cat. No. CS-W007903
  • Purity≥98%
  • MDL No.MFCD00002481

*For research and further manufacturing use only, not for direct human use.

2,4,6-Trimethylbenzoic acid|CS-W007903

Structure of 480-63-7

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General Information

  • CAS No. 480-63-7
  • Cat. No. CS-W007903
  • Purity ≥98%
  • MDL No. MFCD00002481
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) Mesitylenecarboxylic Acid
  • SMILES O=C(O)C1=C(C)C=C(C)C=C1C

Description

This sterically hindered benzoic acid features three methyl groups that enhance solubility in organic solvents and improve resistance to oxidation. The electron-donating methyl substituents modulate acidity and reactivity, making it valuable for synthetic applications requiring bulkier aromatic carboxylic acids.

Application

2,4,6-Trimethylbenzoic acid serves as a sterically hindered aromatic carboxylic acid that facilitates orthogonal functionalization in synthetic workflows. Its three methyl groups provide enhanced bench stability and resistance to decarboxylation, while enabling selective derivatization under standard conditions. The compound functions effectively as a building block for pharmaceutical intermediates and specialty polymers, offering predictable reactivity in amidation, esterification, and coupling reactions with high purity and reproducible performance.

Synthesis

  • Route1

    References

    • Iqbal, Naeem; Choi, Sungkyu; You, Youngmin; Cho, Eun Jin Tetrahedron Letters, 2013 , vol. 54, # 46 p. 6222 - 6225
  • Route2

    References

    • Nakamura, Ryota; Obora, Yasushi; Ishii, Yasutaka Advanced Synthesis and Catalysis, 2009 , vol. 351, # 10 p. 1677 - 1684
  • Route3
    • null|null
      124-38-9
    • 2-Mesityl-5,5-dimethyl-1,3,2-dioxaborinane|CS-0175794
      214360-78-8
    • ~98%
    • In-stock
      2,4,6-Trimethylbenzoic acid|CS-W007903
      480-63-7

    References

    • Ohishi, Takeshi; Nishiura, Masayoshi; Hou, Zhaomin Angewandte Chemie - International Edition, 2008 , vol. 47, # 31 p. 5792 - 5795

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.31006
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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