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CS-W001157 4
Total: USD 88.00

Methyl 2,4-hexadienoate

  • CAS No. 1515-80-6

  • Cat. No. CS-0229281
  • Purity≥97%
  • MDL No.MFCD00038319

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

Methyl 2,4-hexadienoate|CS-0229281

Structure of 1515-80-6

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General Information

  • CAS No. 1515-80-6
  • Cat. No. CS-0229281
  • Purity ≥97%
  • MDL No. MFCD00038319
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.16
  • Synonym(s) Sorbic Acid Methyl Ester
  • SMILES CC=CC=CC(OC)=O

Synthesis

  • Route1

    References

    • Zou, Haixia; Zhou, Liyan; Li, Yuanzhen; Cui, Yi; Zhong, Hanbing; Pan, Zhengying; Yang, Zhen; Quan, Junmin Journal of Medicinal Chemistry, 2010 , vol. 53, # 3 p. 994 - 1003
  • Route2

    References

    • Schumacher, Marc; Coste, Gerald; Miesch, Laurence Synthesis, 2009 , # 6 art. no. Z24408SS, p. 1014 - 1020
  • Route3
    • null|null
      693-86-7
    • null|null
      15714-24-6
    • ~42%
    • Methyl 2,4-hexadienoate|CS-0229281
      1515-80-6

    References

    • Fischetti, William; Heck, Richard F. Journal of Organometallic Chemistry, 1985 , vol. 293, p. 391 - 405

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅱ
Hazard Statements : H227
Precautionary Statements : P210-P280-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.2917
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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