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CS-W001157 4
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3-Hydroxy-4-methylbenzoic acid

  • CAS No. 586-30-1

  • Cat. No. CS-0008323
  • Purity≥97%
  • MDL No.MFCD00002511

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

3-Hydroxy-4-methylbenzoic acid|CS-0008323

Structure of 586-30-1

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General Information

  • CAS No. 586-30-1
  • Cat. No. CS-0008323
  • Purity ≥97%
  • MDL No. MFCD00002511
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight 152.15
  • Synonym(s) 3-Hydroxy-4-methylbenzoic acid
  • SMILES O=C(O)C1=CC=C(C)C(O)=C1

Description

3-Hydroxy-4-methylbenzoic acid features a carboxylic acid group flanked by a hydroxyl and methyl substituent, enabling versatile conjugation in synthetic routes. This ortho-substituted scaffold offers enhanced stability and solubility under standard conditions, facilitating efficient derivatization for medicinal chemistry applications.

Application

3-Hydroxy-4-methylbenzoic acid serves as a versatile building block for bioactive heterocycles and pharmaceutical intermediates. Its ortho-hydroxyl and methyl groups enable selective derivatization, while the carboxylic acid functions as a handle for amide coupling, esterification, or salt formation. The compound exhibits good bench stability and facilitates straightforward purification via recrystallization or column chromatography, supporting its use in iterative synthesis workflows.

Synthesis

  • Route1
    • 4-Methyl-3-sulfobenzoic acid|CS-0366613
      62454-72-2
    • ~%
    • In-stock
      3-Hydroxy-4-methylbenzoic acid|CS-0008323
      586-30-1

    References

    • Chemische Berichte, , vol. 6, p. 478 Journal of the Chemical Society, , vol. 93, p. 1419 Chemische Berichte, , vol. 20, p. 981
  • Route2
    • null|null
      90113-39-6
    • ~%
    • In-stock
      3-Hydroxy-4-methylbenzoic acid|CS-0008323
      586-30-1
    • In-stock
      p-Toluic acid|CS-D0602
      99-94-5

    References

    • Chemische Berichte, , vol. 28, p. 2148
  • Route3

    References

    • Chemische Berichte, , vol. 36, p. 4359 Chemische Berichte, , vol. 37, p. 1845

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

Quality Control

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   1.39882
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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