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CS-W001157 4
Total: USD 88.00

2,5-Dimethylhex-5-en-3-yn-2-ol

  • CAS No. 2696-26-6

  • Cat. No. CS-0328171
  • Purity≥98%
  • MDL No.None

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

2,5-Dimethylhex-5-en-3-yn-2-ol|CS-0328171

Structure of 2696-26-6

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General Information

  • CAS No. 2696-26-6
  • Cat. No. CS-0328171
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O
  • Molecular Weight 124.18
  • Synonym(s) Dimethyl(isopropenylethynyl)carbinol
  • SMILES OC(C)(C)C#CC(C)=C

Synthesis

  • Route1
    • null|null
      67-64-1
    • null|null
      78-80-8
    • ~85%
    • 2,5-Dimethylhex-5-en-3-yn-2-ol|CS-0328171
      2696-26-6

    References

    • Kern, Nicolas; Blanc, Aurelien; Miaskiewicz, Solene; Robinette, Michelle; Weibel, Jean-Marc; Pale, Patrick Journal of Organic Chemistry, 2012 , vol. 77, # 9 p. 4323 - 4341
  • Route2

    References

    • Dupont Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1911 , vol. 152, p. 198 Annales de Chimie (Cachan, France), 1913 , vol. <8>30, p. 512
  • Route3
    • null|null
      132101-64-5
    • ~%
    • 2,5-Dimethylhex-5-en-3-yn-2-ol|CS-0328171
      2696-26-6

    References

    • Hoffmann, H. M. R.; Krumwiede, D.; Mucha, B.; Oehlerking, H. H.; Prahst, G. W. Tetrahedron, 1993 , vol. 49, # 40 p. 8999 - 9018

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.3368
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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