879053-42-6
| Name | 4-(4-ETHOXY-2,5-DIMETHYL-PHENYL)-4-HYDROXY-BUTYRIC ACID |
| CAS | 879053-42-6 |
| Molecular Formula | C14H20O4 |
| MDL Number | MFCD08056155 |
| Molecular Weight | 252.31 |
| MOL File | 879053-42-6.mol |
Chemical Properties
| Boiling point | 437.1±45.0 °C(Predicted) |
| density | 1.140±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 4.60±0.10(Predicted) |
| InChI | 1S/C14H20O4/c1-4-18-13-8-9(2)11(7-10(13)3)12(15)5-6-14(16)17/h7-8,12,15H,4-6H2,1-3H3,(H,16,17) |
| InChIKey | UACZEDNOYSAHPF-UHFFFAOYSA-N |
| SMILES | O=C(O)CCC(O)C1=C(C)C=C(OCC)C(C)=C1 |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |