cis-Aconitic acid
- Product Namecis-Aconitic acid
- CAS585-84-2
- MFC6H6O6
- MW174.11
- EINECS209-564-4
- 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 |
Safety Information
| 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 | 2917198090 |
| 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 |
