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2,2,8,8-Tetramethylnona-3,6-diyn-5-one

  • CAS No. 35845-67-1

  • Cat. No. CS-0272382
  • Molecule weight190.28
  • Purity≥98%
  • MDL No.None

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

2,2,8,8-Tetramethylnona-3,6-diyn-5-one|CS-0272382

Structure of 35845-67-1

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General Information

  • CAS No. 35845-67-1
  • Cat. No. CS-0272382
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O
  • Molecular Weight 190.28
  • Synonym(s) 1,5-DI-TERT-BUTYL-1,4-PENTADIYN-3-ONE
  • SMILES CC(C)(C)C#CC(=O)C#CC(C)(C)C

Synthesis

  • Route1
    • 2,2,8,8-Tetramethyl-3,6-nonadiyn-5-ol|CS-0154939
      50428-39-2
    • ~89%
    • 2,2,8,8-Tetramethylnona-3,6-diyn-5-one|CS-0272382
      35845-67-1

    References

    • Chalifoux, Wesley A.; McDonald, Robert; Ferguson, Michael J.; Tykwinski, Rik R. Angewandte Chemie - International Edition, 2009 , vol. 48, # 42 p. 7915 - 7919
  • Route2
    • null|null
      861802-88-2
    • ~%
    • 2,2,8,8-Tetramethylnona-3,6-diyn-5-one|CS-0272382
      35845-67-1

    References

    • Sparks; Marvel Journal of the American Chemical Society, 1936 , vol. 58, p. 865,867
  • Route3
    • null|null
      52917-32-5
    • ~%
    • 2,2,8,8-Tetramethylnona-3,6-diyn-5-one|CS-0272382
      35845-67-1

    References

    • Sparks; Marvel Journal of the American Chemical Society, 1936 , vol. 58, p. 865,867

Safety Information

Download SDS
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   17.07
  • LogP   2.6545
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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