59-06-3
| Name | Ethopabate |
| CAS | 59-06-3 |
| EINECS(EC#) | 200-414-3 |
| Molecular Formula | C12H15NO4 |
| MDL Number | MFCD00075809 |
| Molecular Weight | 237.25 |
| MOL File | 59-06-3.mol |
Chemical Properties
| Melting point | 148-151 °C |
| Boiling point | 426.1±35.0 °C(Predicted) |
| density | 1.180±0.06 g/cm3(Predicted) |
| storage temp. | 0-6°C |
| solubility | DMSO: 50 mg/mL (210.75 mM) |
| form | A solid |
| pka | 14.12±0.70(Predicted) |
| color | White to off-white |
| Merck | 13,3781 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14) |
| InChIKey | GOVWOKSKFSBNGD-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=C(NC(C)=O)C=C1OCC |
| CAS DataBase Reference | 59-06-3(CAS DataBase Reference) |
| EPA Substance Registry System | 59-06-3(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H319 |
| Precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| HS Code | 2924296000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 |