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CS-W001157 4
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Pentamethylbenzoic acid

  • CAS No. 2243-32-5

  • Cat. No. CS-0236670
  • Purity≥95%
  • MDL No.None

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

Pentamethylbenzoic acid|CS-0236670

Structure of 2243-32-5

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General Information

  • CAS No. 2243-32-5
  • Cat. No. CS-0236670
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) 2,3,4,5,6-Pentamethyl-benzoicacid
  • SMILES CC1=C(C)C(=C(C(=C1C)C)C(=O)O)C

Synthesis

  • Route1

    References

    • E. I. Du Pont de Nemours and Company Patent: US4195040 A1, 1980 ;
  • Route2

    References

    • Santamaria, J.; Jroundi, R.; Rigaudy, J. Tetrahedron Letters, 1989 , vol. 30, # 35 p. 4677 - 4680
  • Route3

    References

    • Smith; Webster; Guss Journal of the American Chemical Society, 1937 , vol. 59, p. 1078,1080

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9269
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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