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CS-W001157 4
Total: USD 88.00

3-Methylcyclohex-3-en-1-one

  • CAS No. 31883-98-4

  • Cat. No. CS-0227205
  • Molecule weight110.15
  • Purity≥95%
  • MDL No.None

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

3-Methylcyclohex-3-en-1-one|CS-0227205

Structure of 31883-98-4

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General Information

  • CAS No. 31883-98-4
  • Cat. No. CS-0227205
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O
  • Molecular Weight 110.15
  • Synonym(s) 3-METHYL-3-CYCLOHEXEN-1-ONE
  • SMILES O=C1CC(C)=CCC1

Synthesis

  • Route1
    • 1-Methoxy-5-methylcyclohexa-1,4-diene|CS-0227206
      13697-84-2
    • ~%
    • 3-Methylcyclohex-3-en-1-one|CS-0227205
      31883-98-4

    References

    • Snyder, Scott A.; Wespe, Daniel A.; Von Hof, J. Marian Journal of the American Chemical Society, 2011 , vol. 133, # 23 p. 8850 - 8853
  • Route2

    References

    • Sladojevich, Filippo; Michaelides, Iacovos N.; Darses, Benjamin; Ward, John W.; Dixon, Darren J. Organic Letters, 2011 , vol. 13, # 19 p. 5132 - 5135
  • Route3

    References

    • Nussbaumer, Cornelius; Cadalbert, Riccardo; Kraft, Philip Helvetica Chimica Acta, 1999 , vol. 82, # 1 p. 53 - 58

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P302+P352-P362+P364-P370+P378-P501

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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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