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CS-W001157 4
Total: USD 88.00

Hexyl 4-methylbenzenesulfonate

  • CAS No. 3839-35-8

  • Cat. No. CS-0099477
  • Purity≥95%
  • MDL No.MFCD00059439

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

Hexyl 4-methylbenzenesulfonate|CS-0099477

Structure of 3839-35-8

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General Information

  • CAS No. 3839-35-8
  • Cat. No. CS-0099477
  • Purity ≥95%
  • MDL No. MFCD00059439
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀O₃S
  • Molecular Weight 256.36
  • Synonym(s) p-Toluenesulfonic Acid Hexyl Ester
  • SMILES O=S(C1=CC=C(C)C=C1)(OCCCCCC)=O

Synthesis

  • Route1

    References

    • Canon Kabushiki Kaisha Patent: US5118441 A1, 1992 ;
  • Route2
    • null|null
      94957-45-6
    • ~19%
    • Hexyl 4-methylbenzenesulfonate|CS-0099477
      3839-35-8

    References

    • Stang,P.J.; Surber,B.W.; Chen,Z.C. Journal of the American Chemical Society, 1987 , vol. 109, p. 228
  • Route3

    References

    • Stang,P.J.; Surber,B.W.; Chen,Z.C. Journal of the American Chemical Society, 1987 , vol. 109, p. 228

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

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   3.28062
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   7

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