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CS-W001157 4
Total: USD 88.00

1-(4-Methoxyphenyl)pent-1-en-3-one

  • CAS No. 104-27-8

  • Cat. No. CS-0186259
  • Purity≥97%
  • MDL No.None

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

1-(4-Methoxyphenyl)pent-1-en-3-one|CS-0186259

Structure of 104-27-8

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General Information

  • CAS No. 104-27-8
  • Cat. No. CS-0186259
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₂
  • Molecular Weight 190.24
  • Synonym(s) 1-(4-Methoxyphenyl)-1-penten-3-one
  • SMILES CCC(C=CC1=CC=C(OC)C=C1)=O

Synthesis

  • Route1
    • null|null
      130489-98-4
    • ~80%
    • 1-(4-Methoxyphenyl)pent-1-en-3-one|CS-0186259
      104-27-8

    References

    • Tetrahedron Letters, , vol. 31, # 31 p. 4497 - 4500
  • Route2
    • null|null
      1629-58-9
    • null|null
      65365-76-6
    • ~32%
    • null|null
      69849-80-5
    • 1-(4-Methoxyphenyl)pent-1-en-3-one|CS-0186259
      104-27-8

    References

    • Tetrahedron Letters, , vol. 50, # 40 p. 5589 - 5595
  • Route3
    • 4-Methoxybenzaldehyde, ≥ 99% GC|CS-0676496
      123-11-5
    • null|null
      78-93-3
    • ~%
    • 1-(4-Methoxyphenyl)pent-1-en-3-one|CS-0186259
      104-27-8

    References

    • Bulletin of the Chemical Society of Japan, , vol. 2, p. 54,55 Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron., vol. 16, p. 535,537 Chem. Zentralbl., 1927 I,2730; II,1471

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317
Precautionary Statements : P261-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6875
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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