Quercetin dihydrate
- Product NameQuercetin dihydrate
- CAS6151-25-3
- MFC15H14O9
- MW338.27
- EINECS612-158-3
- MOL File6151-25-3.mol
Chemical Properties
| Melting point | >300 °C(lit.) |
| Density | 1.680 g/cm3 |
| storage temp. | -20°C |
| solubility | Soluble in DMSO > 10 mM |
| form | Yellow solid |
| Colour Index | 75670 |
| color | Yellow |
| Water Solubility | practically insoluble |
| Merck | 14,8034 |
| BRN | 317313 |
| Major Application | pharmaceutical (small molecule) |
| InChI | InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2 |
| InChIKey | GMGIWEZSKCNYSW-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(O)C(O)=C2)OC2=C(C(=CC(=C2)O)O)C(=O)C=1O.[H]O[H].[H]O[H] |
| LogP | 2.075 (est) |
| CAS DataBase Reference | 6151-25-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | T |
| Risk Statements | 25-46-23/24/25 |
| Safety Statements | 45-53 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | LK8950000 |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29329990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 |
| Toxicity | LD50 orally in mice: 160 mg/kg (Sullivan) |
