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: | 96 | |
|---|---|---|
| Name: | 2,4-dimethylphenol | |
| Description: | ||
| Labels: | Training | |
| CAS: | 105-67-9 | |
| InChi Code: | InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.19 |
experimental value |
| -0.77 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021864 | US EPA CompTox Dashboard |