trans-Aconitic acid - 10mM in DMSO , CAS No.4023-65-8

CAS: 4023-65-8 Cat. No.: T423838 Molecular Weight: 174.11 Beilstein Registry Number: 1725830 EC Number: 223-688-6
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GRADE & PURITY 10mM in DMSO
Synonyms
s3090 | trans Aconitic acid | SR-05000002405-1 | transaconitic acid | trans-Aconitic acid | A824996 | trans-1-Propene-1,2,3-tricarboxylic acid | trans-Aconitic acid, 98% | (E)-Aconitic acid | 1-Propene-1,3-tricarboxylic acid, (E)- | trans-Aconitate | (1E)
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
T423838-1ml
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Trans-Aconitic acid is inhibitor of the tricarboxylic acid cycle。 Trans-Aconitic acid was used in synthesis of aconitate esters. It may be used for cross-linking polyvinyl alcohol film for preparing composite nanofiltration membranes.

Specifications

Synonyms
s3090 | trans Aconitic acid | SR-05000002405-1 | transaconitic acid | trans-Aconitic acid | A824996 | trans-1-Propene-1, 2, 3-tricarboxylic acid | trans-Aconitic acid, 98% | (E)-Aconitic acid | 1-Propene-1, 3-tricarboxylic acid, (E)- | trans-Aconitate | (1E)
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Antimicrobial agent that blocks the transformation of Leishmania donovani amastigotes to prostigotes.
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC(C(=CC(=O)O)C(=O)O)C(=O)O
IUPAC Name(E)-prop-1-ene-1,2,3-tricarboxylic acid
InChIKeyGTZCVFVGUGFEME-HNQUOIGGSA-N
INCHI1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
Isomeric SMILES C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
WGK Germany 3
Molecular Weight 174.11
Beilstein 1725830
Reaxy-Rn 1725828
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725828&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassTricarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentTricarboxylic acids and derivatives
Alternative Parents Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Tricarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors aconitic acid
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACLY Tclin ATP-citrate synthase (168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)190°C
Molecular Weight174.110 g/mol
XLogP3-1.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass174.016 Da
Monoisotopic Mass174.016 Da
Topological Polar Surface Area112.000 Ų
Heavy Atom Count12
Formal Charge0
Complexity251.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Qiang Chen, Lili Zheng, Xiaoqin Deng, Menghan Zhang, Wendi Han, Zhengjun Huang, Chenfang Miao, Shaohuang Weng.  (2023)  A fluorescence biosensor for tyrosinase activity analysis based on silicon-doped carbon quantum dots.  CHEMICAL & PHARMACEUTICAL BULLETIN,      [PMID:37704432] [10.1248/cpb.c23-00410]
2. Kui Kang, Mengyi Zhang, Lei Yue, Weiwen Chen, Yangshuo Dai, Kai Lin, Kai Liu, Jun Lv, Zhanwen Guan, Shi Xiao, Wenqing Zhang.  (2023)  Oxalic Acid Inhibits Feeding Behavior of the Brown Planthopper via Binding to Gustatory Receptor Gr23a.  Cells,  12  (5): (771).  [PMID:36899907] [10.3390/cells12050771]
3. Zhang Haijuan, Qiao Xin, Cai Tianpei, Chen Jia, Li Zhan, Qiu Hongdeng.  (2017)  Preparation and characterization of carbon dot-decorated silica stationary phase in deep eutectic solvents for hydrophilic interaction chromatography.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (9): (2401-2410).  [PMID:28084509] [10.1007/s00216-017-0187-z]
4. Yuanting Chen, Linlin Xu, Sheng Zhao, Chenfang Miao, Yuyuan Chen, Zhenzhen Wang, Feng Feng, Mingrui Lin, Shaohuang Weng.  (2024)  One-pot hydrothermal synthesis of silicon, nitrogen co-doped carbon dots for enhancing enzyme activity of acid phosphatase (ACP) to dopamine and for cell imaging.  TALANTA,      [PMID:38917549] [10.1016/j.talanta.2024.126451]
5. Qiuyan Lian, Zhengjun Huang, Yuebin Liu, Xiaoyan Lin, Lili Zheng, Shuai Zhan, Yao Wang, Shaohuang Weng.  (2025)  Effectively Determining Dopamine Based on Dopamine Self-polymerization through Fluorescent Method Using Silicon Quantum Dots as Probe.  CHEMICAL & PHARMACEUTICAL BULLETIN,  73  (8): (724-731).  [PMID:40850761] [10.1248/cpb.c25-00099]
6. Nei Wu, Yuling Yang, Jianming Xu, Haizhen Wang.  (2025)  Divergent genomic characteristics and convergent metabolic phenotypes associated with Cd tolerance and soil Cd immobilization in multifunctional bacteria.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41485336] [10.1016/j.jhazmat.2025.141004]
7. Shibei Shao, Li Nan, Rui Liu, Yingjie Zhang, Yantong Pan, Kai Wen, Xuezhi Yu, Jianzhong Shen, Zhanhui Wang.  (2026)  High Affinity Antibodies for the Development of a Specific Immunoassay for the Determination of Bongkrekic Acid in Food.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2026.2615056]
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