585-84-2
| Name | CIS-ACONITIC ACID |
| CAS | 585-84-2 |
| EINECS(EC#) | 209-564-4 |
| Molecular Formula | C6H6O6 |
| MDL Number | MFCD00063184 |
| Molecular Weight | 174.11 |
| MOL File | 585-84-2.mol |
Chemical Properties
| Appearance | WHITE TO ALMOST WHITE POWDER |
| Melting point | 122 °C (lit.) |
| Boiling point | 225.05°C (rough estimate) |
| density | 1.660 |
| FEMA | 2010 |
| refractive index | 1.5860 (estimate) |
| storage temp. | 2-8°C |
| solubility | Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 1.95(at 25℃) |
| color | White to Off-White |
| Odor | bland |
| PH | 3.05(1 mM solution);2.21(10 mM solution);1.55(100 mM solution) |
| 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 Data
| 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 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 1 |
| F | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| 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 |