Name | cis-aconitate |
Synonyms | cis-aconitate Cis-aconitic acid (1Z)-prop-1-ene-1,2,3-tricarboxylic acid |
CAS | 585-84-2 |
EINECS | 209-564-4 |
InChI | InChI=1/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- |
Molecular Formula | C6H6O6 |
Molar Mass | 174.11 |
Density | 1.66g/cm3 |
Melting Point | 122 °C (lit.) |
Boling Point | 542.6°C at 760 mmHg |
Flash Point | 296°C |
Water Solubility | Soluble in water, alcohol. Slightly soluble in ether. |
Solubility | Soluble in water and ethanol, slightly soluble in ether. |
Vapor Presure | 3.29E-13mmHg at 25°C |
Appearance | Morphological Solid |
Color | White to Off-White |
BRN | 1725829 |
pKa | 1.95(at 25℃) |
PH | 3.05(1 mM solution);2.21(10 mM solution);1.55(100 mM solution) |
Storage Condition | -20°C |
Stability | Hygroscopic, Light Sensitive |
Sensitive | Easily absorbing moisture |
Refractive Index | 1.57 |
MDL | MFCD00063184 |
Physical and Chemical Properties | Chemical properties colorless to yellow flake crystal or white to yellowish powder, melting point 195~200 ℃ (decomposition), soluble in water and ethanol, slightly soluble in ether. |
Use | Uses Flavoring agents and ingredients. An organic acid found mainly in plants. It is one of the intermediates formed during the citric acid cycle. Long-term storage may form trans isomers. |
Risk Codes | R36/38 - Irritating to eyes and skin. R40 - Limited evidence of a carcinogenic effect R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S36 - Wear suitable protective clothing. |
WGK Germany | 1 |
FLUKA BRAND F CODES | 3 |
TSCA | Yes |
Raw Materials | Sucrose TRANS-ACONITIC ACID CIS-ACONITIC ANHYDRIDE Water Ethanol 3-Methoxypropylamine Oxalic acid Citric acid |
FEMA | 2010 | ACONITIC ACID |
Solubility | Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly) |
EPA chemical information | 1-Propene-1,2,3-tricarboxylic acid, (1Z)- (585-84-2) |
biological activity
Cis-Aconitic acid (cis-aconitate, Achilleic acid, Citridinic acid, Equisetic acid, Pyrocitric acid) is an intermediate product in the tricarboxylic acid cycle, formed by dehydration of citric acid.
Target
Human Endogenous Metabolite
Production method
Citric acid is obtained by dehydration in the presence of sulfuric acid or methanol sulfonic acid. The resulting product is "trans".
In the process of sucrose processing, it is separated from sucrose or waste molasses after calcium salt precipitation.