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3-(Benzyloxy)cyclohexan-1-one

  • CAS No. 123990-98-7

  • Cat. No. CS-0183226
  • Molecule weight204.26
  • Purity98+%
  • MDL No.None

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

3-(Benzyloxy)cyclohexan-1-one|CS-0183226

Structure of 123990-98-7

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General Information

  • CAS No. 123990-98-7
  • Cat. No. CS-0183226
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.26
  • Synonym(s) rac 3-Benzyloxy-cyclohexanone
  • SMILES C1=CC=C(C=C1)COC2CCCC(=O)C2

Synthesis

  • Route1

    References

    • Hayashi, Yujiro; Nishimura, Koichi Chemistry Letters, 2002 , # 3 p. 296 - 297
  • Route2
    • null|null
      84029-18-5
    • ~%
    • 3-(Benzyloxy)cyclohexan-1-one|CS-0183226
      123990-98-7

    References

    • Crotti, Paolo; Di Bussolo, Valeria; Favero, Lucilla; Pineschi, Mauro; Marianucci, Francesco; Renzi, Gabriele; Amici, Giuseppina; Roselli, Graziella Tetrahedron, 2000 , vol. 56, # 38 p. 7513 - 7524
  • Route3

    References

    • Crotti, Paolo; Di Bussolo, Valeria; Favero, Lucilla; Pineschi, Mauro; Marianucci, Francesco; Renzi, Gabriele; Amici, Giuseppina; Roselli, Graziella Tetrahedron, 2000 , vol. 56, # 38 p. 7513 - 7524

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7149
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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