📋Basic information:
| Chemical Name | trans-Aconitic Acid |
| Synonyms | (E)-1-Propene-1,2,3-tricarboxylic acid; trans-1,2,3-Propenetricarboxylic acid; Achilleic acid; Equisetic acid; Citridic acid |
| CAS No. | 4023-65-8 |
| Molecular Formula | C₆H₆O₆ |
| Molecular Weight | 174.11 |
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📌Specification:
| Parameter | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Purity | ≥99% |
| Melting Point | 190–195 °C (dec.) |
| Density | 1.66 g/cm³ |
| Water Solubility | ~400 g/L (20 °C) |
| pKa | 2.8 (25 °C) |
| Package | 1KG/Bag, 25kg/Drum; or as per customer request |
| Storage | Keep in dark place, sealed in dry, room temperature |
🧩Application of trans-Aconitic Acid CAS No.: 4023-65-8
1. Bio-based Plasticizer Development
trans-Aconitic acid, with its unique molecular structure featuring three carboxyl groups and one unsaturated double bond, serves as an ideal raw material for developing novel bio-based plasticizers. By esterifying the carboxyl groups with selected alcohols of varying carbon chain lengths, researchers have synthesized a series of aconitate ester plasticizers that exhibit excellent compatibility with PVC and other polymers. These bio-derived plasticizers represent a sustainable alternative to traditional phthalate-based plasticizers, offering reduced toxicity, enhanced biodegradability, and competitive performance in flexible polymer applications including films, cables, coatings, and medical devices.
2. Antimicrobial and Antiparasitic Agent
trans-Aconitic acid exhibits significant antimicrobial and antiparasitic activities, most notably as an inhibitor that blocks the transformation of Leishmania donovani amastigotes to promastigotes — the causative agent of visceral leishmaniasis. It acts as an inhibitor of the tricarboxylic acid (TCA) cycle, disrupting key metabolic pathways in pathogenic organisms. In addition to its antiparasitic properties, trans-aconitic acid has been investigated for its activity against various bacterial strains, making it a valuable compound for anti-infective drug discovery and development programs.
3. Composite Nanofiltration Membrane Fabrication
In membrane science and water treatment technology, trans-aconitic acid serves as an effective cross-linking agent for polyvinyl alcohol (PVA) films used in the fabrication of composite nanofiltration membranes. The three carboxyl groups of trans-aconitic acid enable multi-point cross-linking with hydroxyl groups on PVA chains, forming a stable three-dimensional network that enhances the membrane’s mechanical strength, thermal stability, and selective permeability. These aconitic acid-crosslinked nanofiltration membranes are applied in industrial wastewater treatment, dye desalination, and the separation of organic compounds from aqueous streams.
4. Synthesis of Aconitate Esters and Fine Chemicals
trans-Aconitic acid is a versatile platform chemical for the synthesis of trialkyl aconitate esters — important intermediates and specialty chemicals used in organic synthesis, polymer additives, surfactants, and lubricant formulations. The presence of three reactive carboxyl groups and an α,β-unsaturated double bond enables diverse chemical transformations including esterification, Michael addition, hydrogenation, and polymerization reactions, yielding a wide range of value-added derivatives for the chemical industry.
5. Natural Product Medicine and Anti-inflammatory Research
trans-Aconitic acid occurs abundantly in the leaves of Echinodorus grandiflorus (chapéu-de-couro), a medicinal plant widely used in Brazilian traditional medicine for treating rheumatoid arthritis, inflammatory conditions, and rheumatic diseases. Pharmacological studies have linked the presence of trans-aconitic acid in this plant to its anti-inflammatory and analgesic effects. This natural origin has stimulated research interest in trans-aconitic acid as a lead compound for developing new anti-inflammatory therapeutics and as a quality marker for botanical drug standardization.
6. Metabolic Research and Diagnostic Biomarker
As a key intermediate of the tricarboxylic acid (TCA) cycle — formed by the aconitase-catalyzed dehydration of citric acid and subsequently converted to isocitric acid — trans-aconitic acid plays a central role in cellular energy metabolism. It serves as a substrate for trans-aconitate 2-methyltransferase and has been identified as a significant metabolite in normal human urine. Elevated urinary levels of trans-aconitic acid have been reported in certain metabolic disorders, including Reye syndrome and organic acidurias, making it a valuable diagnostic biomarker and a research tool in metabolomics and clinical biochemistry.
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