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CS-W001157 4
Total: USD 88.00

1-Phenyloctane-1,3-dione

  • CAS No. 55846-68-9

  • Cat. No. CS-0258422
  • Purity≥95%
  • MDL No.None

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

1-Phenyloctane-1,3-dione|CS-0258422

Structure of 55846-68-9

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General Information

  • CAS No. 55846-68-9
  • Cat. No. CS-0258422
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈O₂
  • Molecular Weight 218.29
  • Synonym(s) 1-phenyl-octane-1,3-dione
  • SMILES CCCCCC(CC(C1=CC=CC=C1)=O)=O

Synthesis

  • Route1
    • null|null
      142-61-0
    • null|null
      70-11-1
    • ~76%
    • 1-Phenyloctane-1,3-dione|CS-0258422
      55846-68-9

    References

    • Ying, Taokai; Bao, Weiliang; Zhang, Yongmin; Xu, Weinming Tetrahedron Letters, 1996 , vol. 37, # 22 p. 3885 - 3886
  • Route2
    • Hexanoic anhydride|CS-0185644
      2051-49-2
    • null|null
      70-11-1
    • ~78%
    • 1-Phenyloctane-1,3-dione|CS-0258422
      55846-68-9

    References

    • Ying, TaoKai; Bao, Weiliang; Zhang, Yongmin Synthetic Communications, 1996 , vol. 26, # 15 p. 2905 - 2909
  • Route3

    References

    • Han, Xiaoqing; Widenhoefer, Ross A. Journal of Organic Chemistry, 2004 , vol. 69, # 5 p. 1738 - 1740

Safety Information

Download SDS
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   34.14
  • LogP   3.4088
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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