161790-37-0
| Name | AKOS B013860 |
| CAS | 161790-37-0 |
| Molecular Formula | C12H16O3 |
| MDL Number | MFCD03422229 |
| Molecular Weight | 208.25 |
| MOL File | 161790-37-0.mol |
Chemical Properties
| Boiling point | 326.6±25.0 °C(Predicted) |
| density | 1.087±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.26±0.10(Predicted) |
| InChI | 1S/C12H16O3/c1-8(2)10-6-4-5-7-11(10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14) |
| InChIKey | KJOWLMCSCDFVCH-UHFFFAOYSA-N |
| SMILES | O(C(C)C(=O)O)c1c(cccc1)C(C)C |
Safety Data
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |