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Ethyl (Z)-2-acetyl-3-hydroxybut-2-enoate

  • CAS No. 1830-94-0

  • Cat. No. CS-0448909
  • Purity≥98%
  • MDL No.None

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

Ethyl (Z)-2-acetyl-3-hydroxybut-2-enoate|CS-0448909

Structure of 1830-94-0

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General Information

  • CAS No. 1830-94-0
  • Cat. No. CS-0448909
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) Ethyl 2-acetyl-3-hydroxy-2-butenoate
  • SMILES CCOC(=O)/C(=C(/C)\O)/C(=O)C

Synthesis

  • Route1

    References

    • Jung, Jae-Chul; Watkins, E.Blake; Avery, Mitchell A Tetrahedron, 2002 , vol. 58, # 18 p. 3639 - 3646
  • Route2

    References

    • Buechi,G.; Wuest,H. Helvetica Chimica Acta, 1971 , vol. 54, p. 1767 - 1775

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   63.6
  • LogP   0.9705
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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