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CS-W001157 4
Total: USD 88.00

5-Methylisophthalic acid

  • CAS No. 499-49-0

  • Cat. No. CS-W016008
  • Purity≥96%
  • MDL No.MFCD00013986

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

5-Methylisophthalic acid|CS-W016008

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General Information

  • CAS No. 499-49-0
  • Cat. No. CS-W016008
  • Purity ≥96%
  • MDL No. MFCD00013986
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight 180.16
  • Synonym(s) 5-Methylbenzene-1,3-dicarboxylate
  • SMILES O=C(O)C=1C=C(C=C(C1)C)C(=O)O

Application

5-Methylisophthalic acid serves as a versatile building block in the synthesis of functionalized aromatic polymers and bioactive heterocycles. Its ortho-dicarboxylic acid framework enables efficient metal coordination and amide bond formation, while the methyl substituent provides steric modulation and enhanced solubility. The compound exhibits excellent bench stability and facilitates straightforward purification via recrystallization, making it well-suited for scalable synthesis and modular derivatization in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • null|null
      108-67-8
    • ~14%
    • In-stock
      3,5-Dimethylbenzoic acid|CS-W019514
      499-06-9
    • In-stock
      5-Methylisophthalic acid|CS-W016008
      499-49-0

    References

    • Fittig; Furtenbach Justus Liebigs Annalen der Chemie, 1868 , vol. 147, p. 296
  • Route2
    • null|null
      108-67-8
    • ~25%
    • In-stock
      5-Methylisophthalic acid|CS-W016008
      499-49-0
    • In-stock
      Benzene-1,3,5-tricarboxylic acid|CS-0010336
      554-95-0

    References

    • Jacobsen Justus Liebigs Annalen der Chemie, 1877 , vol. 184, p. 188 Chemische Berichte, 1877 , vol. 10, p. 1015
  • Route3
    • null|null
      6303-93-1
    • ~%
    • In-stock
      5-Methylisophthalic acid|CS-W016008
      499-49-0

    References

    • Wolff; Heip Justus Liebigs Annalen der Chemie, 1899 , vol. 305, p. 137,140

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.39142
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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