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CS-W001157 4
Total: USD 88.00

Methyl sorbate

  • CAS No. 1515-80-6

  • Cat. No. CS-0069857
  • Purity≥98%
  • MDL No.MFCD00038319

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

Methyl sorbate|CS-0069857

Structure of 1515-80-6

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General Information

  • CAS No. 1515-80-6
  • Cat. No. CS-0069857
  • Purity ≥98%
  • MDL No. MFCD00038319
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) None
  • SMILES C/C=C/C=C/C(OC)=O

Description

Methyl sorbate is a shelf-stable ester derived from sorbic acid, offering enhanced solubility in organic media. This compound features a conjugated diene system that enables participation in cross-coupling and functionalization reactions. Its stability under standard conditions makes it suitable for use in synthetic workflows requiring reliable reactivity and minimal decomposition.

Application

Methyl sorbate serves as a stable, bench-friendly ester derivative of sorbic acid, enabling straightforward incorporation into synthetic workflows requiring carboxylic acid functionality. It functions as a key building block in the synthesis of bioactive esters and prodrugs, offering enhanced solubility and controlled release profiles. Its compatibility with standard coupling reactions and resistance to premature hydrolysis make it a practical choice for medicinal chemistry and process development applications.

Synthesis

  • Route1
    • In-stock
      Trimethyl Phosphonoacetate|CS-0016054
      5927-18-4
    • null|null
      123-73-9
    • ~81%
    • In-stock
      Methyl sorbate|CS-0069857
      1515-80-6

    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
    • null|null
      67-56-1
    • In-stock
      Sorbic acid|CS-0009618
      110-44-1
    • ~85%
    • In-stock
      Methyl sorbate|CS-0069857
      1515-80-6

    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%
    • In-stock
      Methyl sorbate|CS-0069857
      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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