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CS-W001157 4
Total: USD 88.00

3-Methylbenzoic acid

  • CAS No. 99-04-7

  • Cat. No. CS-0008583
  • Purity≥95%
  • MDL No.MFCD00002523

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

3-Methylbenzoic acid|CS-0008583

Structure of 99-04-7

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General Information

  • CAS No. 99-04-7
  • Cat. No. CS-0008583
  • Purity ≥95%
  • MDL No. MFCD00002523
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₂
  • Molecular Weight 136.15
  • Synonym(s) None
  • SMILES O=C(C1=CC=CC(C)=C1)O

Synthesis

  • Route1
    • null|null
      108-38-3
    • ~1%
    • null|null
      74-83-9
    • In-stock
      Isophthalic acid|CS-0020265
      121-91-5
    • In-stock
      3-Methylbenzoic acid|CS-0008583
      99-04-7

    References

    • US2005/137420 A1, ; Page/Page column 8 ;
  • Route2
    • null|null
      312693-24-6
    • null|null
      124-38-9
    • ~79%
    • In-stock
      3-Methylbenzoic acid|CS-0008583
      99-04-7

    References

    • Organic Letters, , vol. 11, # 9 p. 2035 - 2037
  • Route3
    • 3'-Methylacetophenone Celecoxib  Impurity|CS-0229272
      585-74-0
    • ~81%
    • In-stock
      3-Methylbenzoic acid|CS-0008583
      99-04-7

    References

    • Journal of Organic Chemistry, , vol. 67, # 21 p. 7493 - 7500

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   37.3
  • LogP   1.69322
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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