Chemical Properties
| Melting point | 144-145 °C |
| Boiling point | 567.4±50.0 °C(Predicted) |
| Density | 1.373±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | methanol: soluble1mg/mL |
| pka | 7.34±0.20(Predicted) |
| form | powder or solid |
| color | red to brown |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3 |
| InChIKey | NEZONWMXZKDMKF-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1C(O)C/C=C(\C)/C |
| LogP | 4.350 (est) |
Safety Information
| Hazard Codes | Xn,N |
| Risk Statements | 22-50/53 |
| Safety Statements | 61 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 |
