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CS-W001157 4
Total: USD 88.00

3-Methylsalicylic acid

  • CAS No. 83-40-9

  • Cat. No. CS-4909
  • Purity≥96%
  • MDL No.MFCD00002448

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

3-Methylsalicylic acid|CS-4909

Structure of 83-40-9

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General Information

  • CAS No. 83-40-9
  • Cat. No. CS-4909
  • Purity ≥96%
  • MDL No. MFCD00002448
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight 152.15
  • Synonym(s) o-Cresotic acid; Hydroxytoluic acid
  • SMILES O=C(O)C1=CC=CC(C)=C1O

Description

3-Methylsalicylic acid features a phenolic hydroxyl and carboxylic acid group flanking a methyl-substituted aromatic ring, enabling dual functionalization in synthetic transformations. This bench-stable derivative integrates readily into complex molecular architectures, particularly in pharmaceutical intermediates and ligand design.

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      95-48-7
    • ~88%
    • In-stock
      3-Methylsalicylic acid|CS-4909
      83-40-9

    References

    • Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo Patent: EP1600435 A1, 2005 ; Location in patent: Page/Page column 8 ;
  • Route2

    References

    • US4284644 A1, ;
  • Route3
    • null|null
      1427465-41-5
    • ~96%
    • In-stock
      3-Methylsalicylic acid|CS-4909
      83-40-9

    References

    • Yusubov, Mekhman S.; Yusubova, Roza Y.; Nemykin, Victor N.; Zhdankin, Viktor V. Journal of Organic Chemistry, 2013 , vol. 78, # 8 p. 3767 - 3773

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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