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: | 72 | |
|---|---|---|
| Name: | 1,2-dimethylbenzene | |
| Description: | ||
| Labels: | Training | |
| CAS: | 95-47-6 | |
| InChi Code: | InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.01 |
experimental value |
| -0.16 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3021807 | US EPA CompTox Dashboard |