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CS-W001157 4
Total: USD 88.00

Methyl(octyl)sulfane

  • CAS No. 3698-95-1

  • Cat. No. CS-0451724
  • Purity≥98%
  • MDL No.None

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

Methyl(octyl)sulfane|CS-0451724

Structure of 3698-95-1

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General Information

  • CAS No. 3698-95-1
  • Cat. No. CS-0451724
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₂₀S
  • Molecular Weight 160.32
  • Synonym(s) Methyl octyl sulfide
  • SMILES CCCCCCCCSC

Synthesis

  • Route1
    • 1-(Methylsulfinyl)octane|CS-1670925
      3079-27-4
    • ~98%
    • Methyl(octyl)sulfane|CS-0451724
      3698-95-1

    References

    • Yakabe, Shigetaka; Hirano, Masao; Morimoto, Takashi Synthetic Communications, 2011 , vol. 41, # 15 p. 2251 - 2255
  • Route2
    • null|null
      111-88-6
    • ~%
    • Methyl(octyl)sulfane|CS-0451724
      3698-95-1
    • null|null
      86105-99-9

    References

    • BASF Aktiengesellschaft Patent: US4490558 A1, 1984 ;
  • Route3
    • null|null
      67-56-1
    • null|null
      86105-99-9
    • ~92%
    • Methyl(octyl)sulfane|CS-0451724
      3698-95-1
    • null|null
      107-31-3

    References

    • Bott, Kaspar Chemische Berichte, 1993 , vol. 126, # 8 p. 1955 - 1956

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   0
  • LogP   3.7099
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   7

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