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CS-W001157 4
Total: USD 88.00

2,6-Dimethylterephthalic acid

  • CAS No. 80238-12-6

  • Cat. No. CS-W005737
  • Purity≥98%
  • MDL No.MFCD00182548

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

2,6-Dimethylterephthalic acid|CS-W005737

Structure of 80238-12-6

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General Information

  • CAS No. 80238-12-6
  • Cat. No. CS-W005737
  • Purity ≥98%
  • MDL No. MFCD00182548
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.19
  • Synonym(s) None
  • SMILES O=C(O)C=1C=C(C(C(=O)O)=C(C1)C)C

Description

2,6-Dimethylterephthalic acid features a rigid aromatic core with two methyl substituents at the 2 and 6 positions, enhancing steric shielding and crystallinity. This configuration improves thermal stability and reduces intermolecular packing flexibility, making it valuable in high-performance polyester synthesis. The compound serves as a key monomer for engineering resins requiring enhanced rigidity and resistance to deformation under heat.

Application

2,6-Dimethylterephthalic acid serves as a valuable building block in the synthesis of polyesters and functionalized aromatic scaffolds. Its two carboxylic acid groups enable efficient amidation, esterification, and coupling reactions, while the methyl substituents provide steric and electronic modulation. The compound exhibits good bench stability and facilitates purification via recrystallization, making it well-suited for iterative synthetic sequences in materials science and medicinal chemistry applications.

Synthesis

  • Route1

    References

    • Hufferd; Noyes Journal of the American Chemical Society, 1921 , vol. 43, p. 928
  • Route2

    References

    • Hufferd; Noyes Journal of the American Chemical Society, 1921 , vol. 43, p. 928
  • Route3
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    • In-stock
      2,6-Dimethylterephthalic acid|CS-W005737
      80238-12-6

    References

    • Perkin; Tapley Journal of the Chemical Society, 1924 , vol. 125, p. 2436

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   74.6
  • LogP   1.69984
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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