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CS-W001157 4
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4-Methylenecyclohexan-1-one

  • CAS No. 29648-66-6

  • Cat. No. CS-0465068
  • Molecule weight110.15
  • Purity≥98%
  • MDL No.MFCD20528698

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

4-Methylenecyclohexan-1-one|CS-0465068

Structure of 29648-66-6

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General Information

  • CAS No. 29648-66-6
  • Cat. No. CS-0465068
  • Purity ≥98%
  • MDL No. MFCD20528698
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O
  • Molecular Weight 110.15
  • Synonym(s) 4-Methylenecyclohexanone
  • SMILES C=C1CCC(=O)CC1

Synthesis

  • Route1

    References

    • Frontier, Alison J.; Danishefsky, Samuel J.; Koppel, Gary A.; Meng, Dongfang Tetrahedron, 1998 , vol. 54, # 42 p. 12721 - 12736
  • Route2

    References

    • NOVARTIS AG; IRM LLC; CHEN, Bei; FAIRHURST, Robin, Alec; FLOERSHEIMER, Andreas; FURET, Pascal; GUAGNANO, Vito; JIANG, Songchun; LU, Wenshuo; MARSILJE, Thomas, H.; MCCARTHY, Clive; MICHELLYS, Pierre-Yves; STAUFFER, Frederic; STUTZ, Stefan; VAUPEL, Andrea Patent: WO2011/29915 A1, 2011 ; WO 2011/029915 A1
  • Route3
    • 4-Methylenecyclohexan-1-ol|CS-0658780
      22428-85-9
    • ~%
    • 4-Methylenecyclohexan-1-one|CS-0465068
      29648-66-6

    References

    • Sonoda,A. et al. Bulletin of the Chemical Society of Japan, 1972 , vol. 45, p. 1777 - 1781

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.6857
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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