A3412

cis-Aconitic acid

≥98%

• Synonym(s): cis-Propene-1,2,3-tricarboxylic acid
• Linear Formula: HO₂CCH₂C(CO₂H)=CHCO₂H
• CAS Number: 585-84-2
• Molecular Weight: 174.11
• Beilstein/REAXYS Number: 1725829
• MDL number: MFCD00063184
• UNSPSC Code: 12352100
• PubChem Substance ID: 57653844
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: ≥98%
• form: powder
• mp: 122 °C (lit.)
• storage temp.: −20°C
• SMILES string: OC(=O)C\C(=C\C(O)=O)C(O)=O
• InChI: 1S/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-
• InChI key: GTZCVFVGUGFEME-IWQZZHSRSA-N

Description

General description

cis-Aconitic acid is an organic acid mainly found in plants. It is one of the intermediates formed during citric acid cycle.

Application

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

Caution

May form trans isomer upon prolonged storage

Safety Information

• pictograms: GHS08,GHS07
• signalword: Danger
• hcodes: H315,H319,H335,H350
• pcodes: P202 - P261 - P264 - P302 + P352 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Carc. 1B - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• supp_hazards: EUH019
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable