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CS-W001157 4
Total: USD 88.00

3,3-Dimethylpent-4-yn-1-ol

  • CAS No. 67099-41-6

  • Cat. No. CS-0563902
  • Purity≥98%
  • MDL No.None

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

3,3-Dimethylpent-4-yn-1-ol|CS-0563902

Structure of 67099-41-6

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General Information

  • CAS No. 67099-41-6
  • Cat. No. CS-0563902
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O
  • Molecular Weight 112.17
  • Synonym(s) 4-Pentyn-1-ol, 3,3-dimethyl-
  • SMILES C#CC(C)(CCO)C

Synthesis

  • Route1
    • null|null
      66476-86-6
    • ~95%
    • 3,3-Dimethylpent-4-yn-1-ol|CS-0563902
      67099-41-6

    References

    • Rank, Elisabeth; Brueckner, Reinhard European Journal of Organic Chemistry, 1998 , # 6 p. 1045 - 1053
  • Route2
    • 3,3-Dimethylpent-4-ynoic acid|CS-0989217
      67099-40-5
    • ~94%
    • 3,3-Dimethylpent-4-yn-1-ol|CS-0563902
      67099-41-6

    References

    • Smith, Amos B.; Malamas, Michael S. Journal of Organic Chemistry, 1982 , vol. 47, # 18 p. 3442 - 3447
  • Route3
    • null|null
      67099-42-7
    • ~95%
    • 3,3-Dimethylpent-4-yn-1-ol|CS-0563902
      67099-41-6

    References

    • Caldwell; Colman; Kerr; Magennis Synlett, 2001 , # 9 p. 1428 - 1430

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

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.0282
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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