Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.
Compound
| ID: | 115 | |
|---|---|---|
| Name: | 1,3,5-trimethylbenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 108-67-8 | |
| InChi Code: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| 0.88 |
experimental value |
| -0.17 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6026797 | US EPA CompTox Dashboard |