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CS-W001157 4
Total: USD 88.00

3,4,5-Trimethylbenzoic acid

  • CAS No. 1076-88-6

  • Cat. No. CS-0153613
  • Molecule weight164.20
  • Purity≥95%
  • MDL No.MFCD00184980

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

3,4,5-Trimethylbenzoic acid|CS-0153613

Structure of 1076-88-6

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General Information

  • CAS No. 1076-88-6
  • Cat. No. CS-0153613
  • Purity ≥95%
  • MDL No. MFCD00184980
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) None
  • SMILES CC1=C(C)C(=CC(=C1)C(=O)O)C

Synthesis

  • Route1
    • null|null
      2047-21-4
    • ~63%
    • 3,4,5-Trimethylbenzoic acid|CS-0153613
      1076-88-6

    References

    • Tetrahedron, , vol. 41, # 8 p. 1479 - 1508
  • Route2

    References

    • Australian Journal of Chemistry, , vol. 38, # 4 p. 587 - 603
  • Route3
    • null|null
      71681-37-3
    • ~%
    • 3,4,5-Trimethylbenzoic acid|CS-0153613
      1076-88-6

    References

    • Roczniki Chemii, , vol. 31, p. 677 Chem.Abstr., , p. 5334

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-P330-P362+P364-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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