4569-98-6
| Name | 5-O-Methylgenistein |
| CAS | 4569-98-6 |
| Molecular Formula | C16H12O5 |
| MDL Number | MFCD18450707 |
| Molecular Weight | 284.26 |
| MOL File | 4569-98-6.mol |
Chemical Properties
| Melting point | 237-238 °C |
| Boiling point | 567.9±50.0 °C(Predicted) |
| density | 1.420±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 6.65±0.20(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
| InChIKey | YSINCDVRUMTOPK-UHFFFAOYSA-N |
| SMILES | COc1cc(O)cc2OC=C(C(=O)c12)c3ccc(O)cc3 |
Safety Data
| Symbol(GHS) |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H301-H410 |
| Precautionary statements | P273-P301+P310+P330 |
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |