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2-Methoxy-4,5-dimethylbenzoic acid

  • CAS No. 91061-36-8

  • Cat. No. CS-0168204
  • Molecule weight180.20
  • Purity≥97%
  • MDL No.MFCD14538071

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

2-Methoxy-4,5-dimethylbenzoic acid|CS-0168204

Structure of 91061-36-8

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General Information

  • CAS No. 91061-36-8
  • Cat. No. CS-0168204
  • Purity ≥97%
  • MDL No. MFCD14538071
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) 2-methoxy-4,5-dimethyl-benzoic acid
  • SMILES O=C(O)C1=CC(C)=C(C)C=C1OC

Synthesis

  • Route1
    • 1-(2-Methoxy-4,5-dimethylphenyl)ethanone|CS-0205002
      91969-74-3
    • ~%
    • 2-Methoxy-4,5-dimethylbenzoic acid|CS-0168204
      91061-36-8

    References

    • Cocker et al. Journal of the Chemical Society, 1950 , p. 1781,1791
  • Route2
    • null|null
      124-38-9
    • 1-Bromo-2-methoxy-4,5-dimethylbenzene|CS-0194209
      33500-88-8
    • ~%
    • 2-Methoxy-4,5-dimethylbenzoic acid|CS-0168204
      91061-36-8

    References

    • Cambie, Richard C.; Higgs, Paul I.; Lee, Kee Chee; Metzler, Michael R.; Rutledge, Peter S.; at al. Australian Journal of Chemistry, 1991 , vol. 44, # 10 p. 1465 - 1477
  • Route3

    References

    • Vene,J. et al. Bulletin de la Societe Chimique de France, 1963 , p. 1813 - 1817

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   46.53
  • LogP   2.01024
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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