82659-84-5
| Name | METHYL (4S,5S)-DIHYDRO-5-METHYL-2-PHENYL-4-OXAZOLECARBOXYLATE |
| CAS | 82659-84-5 |
| Molecular Formula | C12H13NO3 |
| MDL Number | MFCD00082397 |
| Molecular Weight | 219.24 |
| MOL File | 82659-84-5.mol |
Chemical Properties
| Melting point | 74-76 °C (lit.) |
| Boiling point | 110-115 °C/0.01 mmHg (lit.) |
| density | 1.1825 (rough estimate) |
| refractive index | 1.5270 (estimate) |
| pka | 2.66±0.70(Predicted) |
| Optical Rotation | [α]19/D +66°, c = 8 in ethanol |
| InChI | 1S/C12H13NO3/c1-8-10(12(14)15-2)13-11(16-8)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1 |
| InChIKey | YBKQIWQAEPMIFG-WPRPVWTQSA-N |
| SMILES | COC(=O)[C@H]1N=C(O[C@H]1C)c2ccccc2 |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |