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CS-W001157 4
Total: USD 88.00

2,3,6-Trimethylbenzoic acid

  • CAS No. 2529-36-4

  • Cat. No. CS-0450382
  • Purity≥98%
  • MDL No.None

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

2,3,6-Trimethylbenzoic acid|CS-0450382

Structure of 2529-36-4

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General Information

  • CAS No. 2529-36-4
  • Cat. No. CS-0450382
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) Benzoic acid,2,3,6-trimethyl
  • SMILES CC1=C(C)C(=C(C)C=C1)C(=O)O

Synthesis

  • Route1
    • 2,3,6-Trimethylbenzaldehyde|CS-0781548
      34341-29-2
    • ~90%
    • 2,3,6-Trimethylbenzoic acid|CS-0450382
      2529-36-4

    References

    • Sudalai, A.; Rao, Krishna G. S. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1989 , vol. 28, # 1-11 p. 110 - 112
  • Route2
    • null|null
      18237-73-5
    • ~%
    • 2,3,6-Trimethylbenzoic acid|CS-0450382
      2529-36-4

    References

    • Smith; Agre Journal of the American Chemical Society, 1938 , vol. 60, p. 648,651
  • Route3

    References

    • Smith; Agre Journal of the American Chemical Society, 1938 , vol. 60, p. 648,651

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.31006
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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