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3-Ethyl-4-hydroxy-5-methylbenzonitrile

  • CAS No. 4909-95-9

  • Cat. No. CS-0452921
  • Purity≥98%
  • MDL No.None

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

3-Ethyl-4-hydroxy-5-methylbenzonitrile|CS-0452921

Structure of 4909-95-9

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General Information

  • CAS No. 4909-95-9
  • Cat. No. CS-0452921
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO
  • Molecular Weight 161.20
  • Synonym(s) 3-ethyl-4-hydroxy-5-methyl-benzonitrile
  • SMILES CCC1=C(C(=CC(=C1)C#N)C)O

Synthesis

  • Route1
    • 3-Ethyl-4-hydroxy-5-methylbenzaldehyde|CS-1667253
      42900-98-1
    • ~92%
    • 3-Ethyl-4-hydroxy-5-methylbenzonitrile|CS-0452921
      4909-95-9

    References

    • Bolli, Martin H.; Abele, Stefan; Birker, Magdalena; Bravo, Roberto; Bur, Daniel; De Kanter, Ruben; Kohl, Christopher; Grimont, Julien; Hess, Patrick; Lescop, Cyrille; Mathys, Boris; Mueller, Claus; Nayler, Oliver; Rey, Markus; Scherz, Michael; Schmidt, Gunther; Seifert, Juergen; Steiner, Beat; Velker, Joerg; Weller, Thomas Journal of Medicinal Chemistry, 2014 , vol. 57, # 1 p. 110 - 130
  • Route2
    • null|null
      1365337-59-2
    • ~94%
    • 3-Ethyl-4-hydroxy-5-methylbenzonitrile|CS-0452921
      4909-95-9

    References

    • Schmidt, Gunther; Reber, Stefan; Bolli, Martin H.; Abele, Stefan Organic Process Research and Development, 2012 , vol. 16, # 4 p. 595 - 604
  • Route3

    References

    • Schmidt, Gunther; Reber, Stefan; Bolli, Martin H.; Abele, Stefan Organic Process Research and Development, 2012 , vol. 16, # 4 p. 595 - 604

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   2.1347
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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