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CS-W001157 4
Total: USD 88.00

(E)-3-(4-Acetoxyphenyl)allyl acetate

  • CAS No. 113944-48-2

  • Cat. No. CS-0509481
  • Purity≥98%
  • MDL No.MFCD32632545

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

(E)-3-(4-Acetoxyphenyl)allyl acetate|CS-0509481

Structure of 113944-48-2

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General Information

  • CAS No. 113944-48-2
  • Cat. No. CS-0509481
  • Purity ≥98%
  • MDL No. MFCD32632545
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₄
  • Molecular Weight 234.25
  • Synonym(s) 4-Hydroxy cinnamyl alcohol diacetate
  • SMILES CC(OC/C=C/C1=CC=C(OC(C)=O)C=C1)=O

Synthesis

  • Route1
    • Galangal acetate|CS-0063645
      52946-22-2
    • ~59%
    • (E)-3-(4-Acetoxyphenyl)allyl acetate|CS-0509481
      113944-48-2

    References

    • Azuma, Hideki; Miyasaka, Keita; Yokotani, Tsuyoshi; Tachibana, Taro; Kojima-Yuasa, Akiko; Matsui-Yuasa, Isao; Ogino, Kenji Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 6 p. 1811 - 1818

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   52.6
  • LogP   2.1882
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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