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trans-Aconitic acid

  • CAS No. 4023-65-8

  • Cat. No. CS-W017529
  • Molecule weight174.11
  • Purity≥97%
  • MDL No.MFCD00002721

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

trans-Aconitic acid|CS-W017529

Structure of 4023-65-8

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General Information

  • CAS No. 4023-65-8
  • Cat. No. CS-W017529
  • Purity ≥97%
  • MDL No. MFCD00002721
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆O₆
  • Molecular Weight 174.11
  • Synonym(s) (E)-1-Propene-1,2,3-tricarboxylic Acid
  • SMILES O=C(O)/C=C(CC(O)=O)/C(O)=O

Description

Inhibiting mitochondrial isocitrate dehydrogenase activity, trans-Aconitic acid (CAS 4023-65-8) disrupts the tricarboxylic acid cycle and exhibits radical-scavenging properties in oxidative stress models.

Application

trans-Aconitic acid (CAS 4023-65-8) drives the synthesis of aconitate esters through efficient esterification reactions under controlled conditions. It enables robust cross-linking of polyvinyl alcohol films. This setup streamlines the fabrication of high-performance composite nanofiltration membranes with enhanced selectivity and mechanical stability.

Synthesis

  • Route1
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    • In-stock
      trans-Aconitic acid|CS-W017529
      4023-65-8

    References

    • Ingold; Oliver; Thorpe Journal of the Chemical Society, 1924 , vol. 125, p. 2135
  • Route2

    References

    • Tada J.agric.chem.Soc.JapanChem.Abstr., 1940 , vol. 16, p. 663 J.agric.chem.Soc.JapanChem.Abstr., 1941 , p. 769
  • Route3

    References

    • Quartaroli; Belfiori Ann.Chim.applic., 1938 , vol. 28, p. 297 Chem. Zentralbl., 1939 , vol. 110, # I p. 1163

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   111.9
  • LogP   -0.4433
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   4

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