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CS-W001157 4
Total: USD 88.00

1-Hexyn-3-one

  • CAS No. 689-00-9

  • Cat. No. CS-0239001
  • Molecule weight96.13
  • Purity≥95%
  • MDL No.None

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

1-Hexyn-3-one|CS-0239001

Structure of 689-00-9

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General Information

  • CAS No. 689-00-9
  • Cat. No. CS-0239001
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O
  • Molecular Weight 96.13
  • Synonym(s) Hex-1-yn-3-one
  • SMILES C#CC(CCC)=O

Synthesis

  • Route1
    • null|null
      105-31-7
    • ~66%
    • 1-Hexyn-3-one|CS-0239001
      689-00-9

    References

    • Mueller, Paul; Godoy, Jose Tetrahedron Letters, 1981 , vol. 22, # 25 p. 2361 - 2364
  • Route2
    • null|null
      141-75-3
    • null|null
      1066-54-2
    • ~40%
    • 1-Hexyn-3-one|CS-0239001
      689-00-9

    References

    • Schubert, Thomas; Hummel, Werner; Kula, Maria-Regina; Mueller, Michael European Journal of Organic Chemistry, 2001 , # 22 p. 4181 - 4187
  • Route3
    • null|null
      80352-59-6
    • ~%
    • 1-Hexyn-3-one|CS-0239001
      689-00-9

    References

    • Bradshaw, Curt W.; Fu, Hong; Shen, Gwo-Jenn; Wong, Chi-Huey Journal of Organic Chemistry, 1992 , vol. 57, # 5 p. 1526 - 1532

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   17.07
  • LogP   0.9888
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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