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CS-W001157 4
Total: USD 88.00

3-Methyl-5-phenylcyclohex-2-en-1-one

  • CAS No. 5337-88-2

  • Cat. No. CS-0221887
  • Purity≥95%
  • MDL No.None

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

3-Methyl-5-phenylcyclohex-2-en-1-one|CS-0221887

Structure of 5337-88-2

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General Information

  • CAS No. 5337-88-2
  • Cat. No. CS-0221887
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O
  • Molecular Weight 186.25
  • Synonym(s) 3-methyl-5-phenyl-cyclohex-2-en-1-one
  • SMILES O=C1C=C(C)CC(C2=CC=CC=C2)C1

Synthesis

  • Route1
    • null|null
      75359-71-6
    • ~75%
    • 3-Methyl-5-phenylcyclohex-2-en-1-one|CS-0221887
      5337-88-2

    References

    • List; Lerner; Barbas 3rd. Organic letters, 1999 , vol. 1, # 1 p. 59 - 61
  • Route2
    • null|null
      913977-07-8
    • ~%
    • 3-Methyl-5-phenylcyclohex-2-en-1-one|CS-0221887
      5337-88-2

    References

    • Buzas, Andrea; Gagosz, Fabien Journal of the American Chemical Society, 2006 , vol. 128, # 39 p. 12614 - 12615
  • Route3
    • null|null
      100-52-7
    • null|null
      67-64-1
    • ~42%
    • 3-Methyl-5-phenylcyclohex-2-en-1-one|CS-0221887
      5337-88-2

    References

    • Xiang, Ziwei; Liu, Zhiqiang; Liang, Yiru; Wu, Qi; Lin, Xianfu Chinese Journal of Chemistry, 2013 , vol. 31, # 8 p. 997 - 1002

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.0794
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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