cis-Aconitic acid - ≥90% , CAS No.585-84-2

CAS: 585-84-2 Cat. No.: A111230 Peso molecular: 174.11 Beilstein Registry Number: 1725829 Número EC: 209-564-4
Disponible para pedir
GRADE & PURITY ≥90%
Synonyms
Achilleic acid | ACONITIC ACID | cis-Aconitic acid | cis-Aconic acid | (Z)-Aconitic acid | cis-aconitate | Citridic acid | (1Z)-prop-1-ene-1,2,3-tricarboxylic acid | Citridinic acid | (Z)-prop-1-ene-1,2,3-tricarboxylic acid | Equisetic acid | Achilleaic a
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
A111230-250mg
3
61,90US$
1g
A111230-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
178,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

cis-Aconitic acid is the cis-isomer of Aconitic Acid. The conjugate base of cis-Aconitic Acid is an intermediate in the isomerization of citrate and isocitrate in the citric acid cycle.

A cis-isomer of Aconitic Acid.

cis-Aconitic acid can be used as a standard for the determination of organic acids in plant tissues

Specifications

Sinónimos
Achilleic acid | ACONITIC ACID | cis-Aconitic acid | cis-Aconic acid | (Z)-Aconitic acid | cis-aconitate | Citridic acid | (1Z)-prop-1-ene-1, 2, 3-tricarboxylic acid | Citridinic acid | (Z)-prop-1-ene-1, 2, 3-tricarboxylic acid | Equisetic acid | Achilleaic a
Especificaciones y pureza
≥90%
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥90%
Nombres e identificadores
Sonrisas canónicasC(C(=CC(=O)O)C(=O)O)C(=O)O
IUPAC Name(Z)-prop-1-ene-1,2,3-tricarboxylic acid
InChIKeyGTZCVFVGUGFEME-IWQZZHSRSA-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-
Isómeros SMILES C(/C(=C/C(=O)O)/C(=O)O)C(=O)O
WGK Alemania 1
Peso molecular 174.11
Beilstein 1725829
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.

View datasheet →

🔬 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
ClaseCarboxylic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

14 results found

Lot NumberCertificate TypeFechaArticulo
K2412133Certificate of AnalysisMay 11, 2026 A111230
C2428047Certificate of AnalysisMar 17, 2026 A111230
L2501232Certificate of AnalysisNov 21, 2025 A111230
L2501233Certificate of AnalysisNov 21, 2025 A111230
K2113316Certificate of AnalysisSep 08, 2025 A111230
K2412132Certificate of AnalysisAug 12, 2025 A111230
G2322064Certificate of AnalysisMay 16, 2024 A111230
G2322075Certificate of AnalysisMay 16, 2024 A111230
H2218053Certificate of AnalysisMay 12, 2023 A111230
K2113273Certificate of AnalysisSep 09, 2022 A111230
J2129369Certificate of AnalysisAug 12, 2022 A111230
H2218054Certificate of AnalysisJun 28, 2022 A111230
G2214054Certificate of AnalysisJun 16, 2022 A111230
E2310093Certificate of AnalysisOct 26, 2021 A111230

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Propiedades químicas y físicas
SolubilidadSoluble in water, alcohol. Slightly soluble in ether.
SensibilidadMoisture sensitive
Punto de fusión (°C)130°C
Peso molecular174.110 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
Referencias
1. Ran Xin, Meng Dong, Yu-Ying Zhang, Xu-Hui Huang, Xiu-Ping Dong, Lei Qin.  (2023)  Development and validation of a HILIC-MS/MS method for simultaneous quantitative of taste-active compounds in foods.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105302]
2. Meng Dong, Ran Xin, Zhi-Yuan Li, Yu-Lian Li, Xu-Hui Huang, Xiu-Ping Dong, Bei-Wei Zhu, Lei Qin.  (2022)  Simultaneously quantification of organic acids metabolites by HPLC mass spectrometry to reveal the postharvest quality change in cherry tomato.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2022.105105]
3. Jiaxing Fan, Jianglu Zhou, Shenmin Su, Yunqiu Yu, Lihong Chen, Yunchen Le, Xiaopan Wang, Li Zhang, Jie Zheng, Xia Li.  (2020)  Quantitative detection and metabolic profile analysis of metabolites of tricarboxylic acid cycle and amino acids in psoriasis serum before and after receiving monoclonal antibody treatment by one-pot GC-MS derivatization.  INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,      [PMID:] [10.1016/j.ijms.2020.116478]
4. Jia Xu, Yuanyuan Zhai, Li Feng, Tong Xie, Weifeng Yao, Jinjun Shan, Li Zhang.  (2019)  An optimized analytical method for cellular targeted quantification of primary metabolites in tricarboxylic acid cycle and glycolysis using gas chromatography-tandem mass spectrometry and its application in three kinds of hepatic cell lines.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:31005043] [10.1016/j.jpba.2019.04.022]
5. 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]
6. Yang Tang, Zheng Wang, Feng Zhou, Ling Li, Chen Sun, Linhui Li, Fei Tang, Dongqin Huang, Zewei Li, Yang Tan, Gang Pei.  (2025)  Benzoylpaeoniflorin alleviates ulcerative colitis by inhibiting ferroptosis through targeting phosphogluconic dehydrogenase.  PHYTOMEDICINE,      [PMID:40829505] [10.1016/j.phymed.2025.157111]
7. Zixi Li, Meng Dong, Libo Qi, Shan Shang, Yan Guo, Lei Qin, Baoshang Fu.  (2025)  Mass spectrometry-based lipidomics combined with flavoromics reveal the mechanism of characteristic flavor formation in Chelidonichthys kumu bone soup treated with different edible oils by frying.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.106724]
8. Zhao Cui, Jiameng Li, Caifeng Li, Shiwen Deng, Wei Liu, Tong Lei, Junxian Cao, Ziyi Wang, Xiaoxu Wang, Shuhua Ma, Yinhua Zhu, Hongjun Yang, Peng Chen.  (2025)  Identifying the target, mechanism, and agonist of α-ketoglutaric acid in delaying mesenchymal stem cell senescence.  Cell Reports,      [PMID:40570373] [10.1016/j.celrep.2025.115917]
9. 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]
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