4547-57-3
| Name | 4-N-BUTOXYPHENYLACETIC ACID |
| CAS | 4547-57-3 |
| EINECS(EC#) | 224-904-1 |
| Molecular Formula | C12H16O3 |
| MDL Number | MFCD00016832 |
| Molecular Weight | 208.25 |
| MOL File | 4547-57-3.mol |
Chemical Properties
| Melting point | 82-88 °C |
| Boiling point | 86-87 °C(Press: 1 Torr) |
| density | 1.093±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 4.45±0.10(Predicted) |
| color | White to Light yellow |
| BRN | 1105534 |
| InChI | 1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14) |
| InChIKey | KLJMYYFCWBVKEE-UHFFFAOYSA-N |
| SMILES | CCCCOc1ccc(CC(O)=O)cc1 |
| CAS DataBase Reference | 4547-57-3(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 2 |
| RTECS | AF6945000 |
| HS Code | 2914.79.4000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |