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CS-W001157 4
Total: USD 88.00

4-Hydroxy-1-methylbicyclo[2.2.2]Octan-2-one

  • CAS No. 5122-77-0

  • Cat. No. CS-0550557
  • Purity≥98%
  • MDL No.None

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

4-Hydroxy-1-methylbicyclo[2.2.2]Octan-2-one|CS-0550557

Structure of 5122-77-0

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General Information

  • CAS No. 5122-77-0
  • Cat. No. CS-0550557
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₂
  • Molecular Weight 154.21
  • Synonym(s) None
  • SMILES CC12CCC(CC1)(CC2=O)O

Synthesis

  • Route1
    • 4-Acetyl-4-methylcyclohexan-1-one|CS-0670078
      6848-93-7
    • ~73%
    • 4-Hydroxy-1-methylbicyclo[2.2.2]Octan-2-one|CS-0550557
      5122-77-0

    References

    • Gray, George W.; Kelly, Stephen M. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1981 , p. 26 - 31
  • Route2
    • 4-Acetyl-4-methylheptanedioic acid|CS-0464667
      19830-09-2
    • ~%
    • 4-Hydroxy-1-methylbicyclo[2.2.2]Octan-2-one|CS-0550557
      5122-77-0

    References

    • Colonge,J.; Vuillemet,R. Bulletin de la Societe Chimique de France, 1961 , p. 2235 - 2236
  • Route3
    • 4-Acetyl-4-Methylheptanedinitrile|CS-0767752
      1681-17-0
    • ~%
    • 4-Hydroxy-1-methylbicyclo[2.2.2]Octan-2-one|CS-0550557
      5122-77-0

    References

    • Kraus,W. et al. Tetrahedron, 1969 , vol. 25, p. 3681 - 3692

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.2706
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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