65408-91-5
| Name | Altholactone |
| CAS | 65408-91-5 |
| Molecular Formula | C13H12O4 |
| MDL Number | MFCD23103612 |
| Molecular Weight | 232.23 |
| MOL File | 65408-91-5.mol |
Chemical Properties
| Melting point | 108-109 °C(Solv: ethanol (64-17-5); benzene (71-43-2)) |
| Boiling point | 490.4±45.0 °C(Predicted) |
| density | 1.336±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| form | solid |
| pka | 12.82±0.40(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C13H12O4/c14-10-7-6-9-13(17-10)11(15)12(16-9)8-4-2-1-3-5-8/h1-7,9,11-13,15H/t9-,11+,12+,13+/m0/s1 |
| InChIKey | ZKIRVBNLJKGIEM-WKSBVSIWSA-N |
| SMILES | O[C@H]1[C@@H]2OC(=O)C=C[C@@H]2O[C@@H]1c3ccccc3 |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H301 |
| Precautionary statements | P301+P310 |
| Hazard Codes | T |
| 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 |