3162-56-9
| Name | TAUREMIZINE |
| CAS | 3162-56-9 |
| Molecular Formula | C15H20O4 |
| MDL Number | MFCD01726765 |
| Molecular Weight | 264.32 |
| MOL File | 3162-56-9.mol |
Chemical Properties
| Melting point | 240-243 °C |
| Boiling point | 449.9±45.0 °C(Predicted) |
| density | 1.200±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 13.15±0.60(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1 |
| InChIKey | NGPDZEACIWDCKX-WUDKWMPASA-N |
| SMILES | C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P264-P270-P301+P310-P405-P501 |
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| 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 |