cis-Aconitic acid
- Product Namecis-Aconitic acid
- CAS585-84-2
- CBNumberCB4351193
- MFC6H6O6
- MW174.11
- EINECS209-564-4
- MDL NumberMFCD00063184
- MOL File585-84-2.mol
Chemical Properties
| Melting point: | 122 °C (lit.) |
| Boiling point: | 225.05°C (rough estimate) |
| Density | 1.660 |
| refractive index | 1.5860 (estimate) |
| FEMA | 2010 | ACONITIC ACID |
| storage temp. | -20°C |
| solubility | Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 1.95(at 25℃) |
| color | White to Off-White |
| PH | 3.05(1 mM solution);2.21(10 mM solution);1.55(100 mM solution) |
| Odor | bland |
| Water Solubility | Soluble in water, alcohol. Slightly soluble in ether. |
| BRN | 1725829 |
| Stability: | Hygroscopic, Light Sensitive |
| 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- |
| InChIKey | GTZCVFVGUGFEME-IWQZZHSRSA-N |
| SMILES | OC(=O)C\C(=C\C(O)=O)C(O)=O |
| LogP | -0.14 |
| CAS DataBase Reference | 585-84-2(CAS DataBase Reference) |
| EPA Substance Registry System | 1-Propene-1,2,3-tricarboxylic acid, (1Z)- (585-84-2) |
Safety
| Symbol(GHS) |
  GHS07,GHS08 |
|||||||||
| Signal word | Danger | |||||||||
| Hazard statements | H315-H319-H335-H350 | |||||||||
| Precautionary statements | P202-P261-P264-P302+P352-P305+P351+P338-P308+P313 | |||||||||
| target organs | Respiratory system | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 36/38-40-36/37/38 | |||||||||
| Safety Statements | 26-36/37-36 | |||||||||
| WGK Germany | 1 | |||||||||
| F | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2917190090 | |||||||||
| Storage Class |
6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
|||||||||
| Hazard Classifications |
Carc. 1B Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704: |
|