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CS-W001157 4
Total: USD 88.00

Phenoxyacetone

  • CAS No. 621-87-4

  • Cat. No. CS-0066530
  • Purity≥98%
  • MDL No.MFCD00008767

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

Phenoxyacetone|CS-0066530

Structure of 621-87-4

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General Information

  • CAS No. 621-87-4
  • Cat. No. CS-0066530
  • Purity ≥98%
  • MDL No. MFCD00008767
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.18
  • Synonym(s) Phenoxy-2-propanone
  • SMILES CC(COC1=CC=CC=C1)=O

Description

Phenoxy-2-propanone was used in the preparation of 3-mercapto-5-methyl-1-phenoxy-methyl-4-phenyl-1,2,4-triazolinium hydroxide inner salt.

Synthesis

  • Route1
    • In-stock
      (Allyloxy)benzene,98% (stabilized with MEHQ)|CS-W013371
      1746-13-0
    • ~47%
    • In-stock
      Phenoxyacetone|CS-0066530
      621-87-4
    • null|null
      108-95-2

    References

    • Baeckvall, Jan-E.; Hopkins, R. Bruce; Grennberg, Helena; Mader, Mary M.; Awasthi, Alok K. Journal of the American Chemical Society, 1990 , vol. 112, # 13 p. 5160 - 5166
  • Route2
    • null|null
      392315-11-6
    • ~6%
    • null|null
      1013938-63-0
    • In-stock
      Phenoxyacetone|CS-0066530
      621-87-4

    References

    • Journal of the American Chemical Society, , vol. 130, # 10 p. 2916 - 2917
  • Route3

    References

    • Betzemeier, Bodo; Lhermitte, Frederic; Knochel, Paul Tetrahedron Letters, 1998 , vol. 39, # 37 p. 6667 - 6670

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H332
Precautionary Statements : P261-P271-P304+P341-P312

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.6544
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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