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CS-W001157 4
Total: USD 88.00

1-Ethynyl-4-octylbenzene

  • CAS No. 79887-13-1

  • Cat. No. CS-0326373
  • Molecule weight214.35
  • Purity95+%
  • MDL No.MFCD00173881

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

1-Ethynyl-4-octylbenzene|CS-0326373

Structure of 79887-13-1

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General Information

  • CAS No. 79887-13-1
  • Cat. No. CS-0326373
  • Purity 95+%
  • MDL No. MFCD00173881
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₂
  • Molecular Weight 214.35
  • Synonym(s) None
  • SMILES CCCCCCCCC1=CC=C(C#C)C=C1

Synthesis

  • Route1
    • null|null
      90965-06-3
    • 4-Octylbenzaldehyde|CS-W014788
      49763-66-8
    • ~49%
    • In-stock
      1-Ethynyl-4-octylbenzene|CS-0326373
      79887-13-1

    References

    • AKAAL PHARMA PTY LTD; GILL, Gurmit S; GROBELNY, Damian W Patent: WO2010/43000 A1, 2010 ; Location in patent: Page/Page column 56 ; WO 2010/043000 A1
  • Route2
    • null|null
      166964-89-2
    • ~83%
    • In-stock
      1-Ethynyl-4-octylbenzene|CS-0326373
      79887-13-1

    References

    • Sugiyama, Shigeo; Arai, Satoshi; Kiriyama, Matsuri; Ishii, Keitaro Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 1 p. 100 - 102
  • Route3
    • null|null
      133826-41-2
    • null|null
      1066-54-2
    • ~87%
    • In-stock
      1-Ethynyl-4-octylbenzene|CS-0326373
      79887-13-1

    References

    • Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Reymann, Sebastien; Schaffner, Silvia European Journal of Organic Chemistry, 2008 , # 9 p. 1597 - 1607

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.5709
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   7

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