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CS-W001157 4
Total: USD 88.00

2-((4-Methylbenzyl)thio)ethan-1-ol

  • CAS No. 89040-08-4

  • Cat. No. CS-0358378
  • Purity95+%
  • MDL No.MFCD02755211

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

2-((4-Methylbenzyl)thio)ethan-1-ol|CS-0358378

Structure of 89040-08-4

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General Information

  • CAS No. 89040-08-4
  • Cat. No. CS-0358378
  • Purity 95+%
  • MDL No. MFCD02755211
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄OS
  • Molecular Weight 182.28
  • Synonym(s) 2-[(4-Methylbenzyl)thio]ethanol
  • SMILES CC1=CC=C(C=C1)CSCCO

Synthesis

  • Route1
    • null|null
      104-81-4
    • null|null
      60-24-2
    • ~98%
    • 2-((4-Methylbenzyl)thio)ethan-1-ol|CS-0358378
      89040-08-4

    References

    • UNIVERSITY OF STRATHCLYDE; UNIVERSITY OF GLASGOW; HARNETT, Margaret; HARNETT, William; SUCKLING, Professor Colin J; SCOTT, Fraser; HUGGAN, Judith Kerr; KHALAF, Abedawn Ibrahim Patent: WO2014/23934 A1, 2014 ; Location in patent: Page/Page column 15 ;
  • Route2
    • P-tolylmethanethiol|CS-0281345
      4498-99-1
    • null|null
      540-51-2
    • ~72%
    • 2-((4-Methylbenzyl)thio)ethan-1-ol|CS-0358378
      89040-08-4

    References

    • Meutermans, Wim D. F.; Golding, Simon W.; Bourne, Greg T.; Miranda, Les P.; Dooley, Michael J.; Alewood, Paul F.; Smythe, Mark L. Journal of the American Chemical Society, 1999 , vol. 121, # 42 p. 9790 - 9796
  • Route3
    • P-tolylmethanethiol|CS-0281345
      4498-99-1
    • null|null
      107-07-3
    • ~60%
    • 2-((4-Methylbenzyl)thio)ethan-1-ol|CS-0358378
      89040-08-4

    References

    • Ayodele, Ezekiel T.; Hudson, Harry R.; Ojo, Isaac A. O.; Pianka, Max Phosphorus, Sulfur and Silicon and Related Elements, 2000 , vol. 159, p. 123 - 142

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.22052
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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