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CS-W001157 4
Total: USD 88.00

Methyl 2-oxohex-5-enoate

  • CAS No. 84012-01-1

  • Cat. No. CS-0106205
  • Purity≥98%
  • MDL No.None

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

Methyl 2-oxohex-5-enoate|CS-0106205

Structure of 84012-01-1

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General Information

  • CAS No. 84012-01-1
  • Cat. No. CS-0106205
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₃
  • Molecular Weight 142.15
  • Synonym(s) 5-Hexenoic acid, 2-oxo-, methyl ester
  • SMILES O=C(CCC=C)C(OC)=O

Synthesis

  • Route1
    • null|null
      84012-03-3
    • ~24%
    • Methyl 2-oxohex-5-enoate|CS-0106205
      84012-01-1

    References

    • Berryhill; Price; Rosenblum Journal of Organic Chemistry, 1983 , vol. 48, # 2 p. 158 - 162
  • Route2
    • null|null
      553-90-2
    • null|null
      5162-44-7
    • ~%
    • Methyl 2-oxohex-5-enoate|CS-0106205
      84012-01-1

    References

    • Wanner, Martin J.; Ingemann, Steen; Van Maarseveen, Jan H.; Hiemstra, Henk European Journal of Organic Chemistry, 2013 , # 6 p. 1100 - 1106
  • Route3
    • null|null
      106093-16-7
    • ~%
    • Methyl 2-oxohex-5-enoate|CS-0106205
      84012-01-1

    References

    • Gajewski, J. J.; Gee, K. R.; Jurayj, J. Journal of Organic Chemistry, 1990 , vol. 55, # 6 p. 1813 - 1822

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

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.6947
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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