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CS-W001157 4
Total: USD 88.00

(E)-3-Methyl-4-phenylbut-3-en-2-one

  • CAS No. 42968-14-9

  • Cat. No. CS-0266587
  • Purity≥97%
  • MDL No.None

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

(E)-3-Methyl-4-phenylbut-3-en-2-one|CS-0266587

Structure of 42968-14-9

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General Information

  • CAS No. 42968-14-9
  • Cat. No. CS-0266587
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O
  • Molecular Weight 160.21
  • Synonym(s) None
  • SMILES C/C(=C\C1=CC=CC=C1)/C(=O)C

Synthesis

  • Route1
    • null|null
      1198158-26-7
    • ~80%
    • (E)-3-Methyl-4-phenylbut-3-en-2-one|CS-0266587
      42968-14-9

    References

    • He, Yan; Shen, Nana; Fan, Xuesen; Zhang, Xinying Tetrahedron, 2013 , vol. 69, # 41 p. 8818 - 8823
  • Route2
    • null|null
      87422-10-4
    • ~82%
    • (E)-3-Methyl-4-phenylbut-3-en-2-one|CS-0266587
      42968-14-9

    References

    • Grant, Tina N.; West Journal of the American Chemical Society, 2006 , vol. 128, # 29 p. 9348 - 9349
  • Route3
    • null|null
      100-52-7
    • null|null
      78-93-3
    • ~93%
    • (E)-3-Methyl-4-phenylbut-3-en-2-one|CS-0266587
      42968-14-9

    References

    • Too, Pei Chui; Noji, Toshiharu; Lim, Ying Jie; Li, Xingwei; Chiba, Shunsuke Synlett, 2011 , # 19 art. no. B16911ST, p. 2789 - 2794

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.6789
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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