Name | trans-Aconitic acid |
Synonyms | trans-Aconitic acid (1Z)-prop-1-ene-1,2,3-tricarboxylate (1E)-prop-1-ene-1,2,3-tricarboxylic acid trans-Aconitic acid, (1,2,3-Propenetricarboxylic acid) |
CAS | 4023-65-8 |
EINECS | 223-688-6 |
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)/p-3/b3-1- |
Molecular Formula | C6H6O6 |
Molar Mass | 174.11 |
Density | 0.56 g/cm3 (20℃) |
Melting Point | 190℃ |
Boling Point | 542.6°C at 760 mmHg |
Flash Point | 296°C |
Water Solubility | Soluble in water at 20°C 400g/L. Slightly soluble in ether. |
Solubility | Easily soluble in water and ethanol, slightly soluble in ether. Hydrolyzed into cis-acinic acid in cold water, and then rearranged into trans after heating. |
Vapor Presure | 3.29E-13mmHg at 25°C |
Appearance | Morphological Solid |
Color | White to Off-White |
BRN | 1725830 |
pKa | 2.8(at 25℃) |
PH | 3.14(1 mM solution);2.48(10 mM solution);1.92(100 mM solution) |
Storage Condition | Store below +30°C. |
MDL | MFCD00002721 |
Physical and Chemical Properties | Bioactive trans-Aconitic acid (TAA) is a rich ingredient in the leaves of Echinodorus grandiflorus, a medicinal plant used in Brazil to treat rheumatoid arthritis. |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S24/25 - Avoid contact with skin and eyes. |
WGK Germany | 3 |
RTECS | UD2380000 |
TSCA | Yes |
Downstream Products | CIS-ACONITIC ACID |
Human Endogenous Metabolite
FEMA | 2010 | ACONITIC ACID |
Solubility | 400g/l |
EPA chemical information | 1-Propene-1,2,3-tricarboxylic acid, (1E)- (4023-65-8) |