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CS-W001157 4
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2-Benzylcyclohexanone

  • CAS No. 946-33-8

  • Cat. No. CS-0040359
  • Purity≥97%
  • MDL No.MFCD00051455

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

2-Benzylcyclohexanone|CS-0040359

Structure of 946-33-8

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General Information

  • CAS No. 946-33-8
  • Cat. No. CS-0040359
  • Purity ≥97%
  • MDL No. MFCD00051455
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O
  • Molecular Weight 188.27
  • Synonym(s) NSC 149930; 2-Benzylcyclohexan-1-one
  • SMILES O=C1C(CC2=CC=CC=C2)CCCC1

Synthesis

  • Route1

    References

    • Noyori, R.; Nishida, I.; Sakata, J. Journal of the American Chemical Society, 1983 , vol. 105, # 6 p. 1598 - 1608
  • Route2
    • null|null
      34914-84-6
    • ~76%
    • 2-Benzylcyclohexanone|CS-0040359
      946-33-8

    References

    • Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A. Chemistry - A European Journal, 2004 , vol. 10, # 24 p. 6333 - 6342
  • Route3

    References

    • Ranu, Brindaban C.; Dutta, Jyotirmoy; Guchhait, Sankar K. Organic Letters, 2001 , vol. 3, # 16 p. 2603 - 2605

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   17.07
  • LogP   2.9884
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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