85614-43-3
| Name | Methyl 5-allyl-3-methoxysalicylate |
| CAS | 85614-43-3 |
| EINECS(EC#) | 287-929-7 |
| Molecular Formula | C12H14O4 |
| MDL Number | MFCD04038819 |
| Molecular Weight | 222.24 |
| MOL File | 85614-43-3.mol |
Chemical Properties
| Melting point | 54-58 °C (lit.) |
| Boiling point | 174°C/12mmHg(lit.) |
| density | 1.144±0.06 g/cm3(Predicted) |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Toluene |
| form | powder to crystal |
| pka | 10.10±0.23(Predicted) |
| color | White to Almost white |
| InChI | 1S/C12H14O4/c1-4-5-8-6-9(12(14)16-3)11(13)10(7-8)15-2/h4,6-7,13H,1,5H2,2-3H3 |
| InChIKey | LYSUGZLJKRSLHM-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(CC=C)cc(OC)c1O |
| CAS DataBase Reference | 85614-43-3(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29189900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |