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: | 154 | |
|---|---|---|
| Name: | 2-methylbenzoic acid | |
| Description: | ||
| Labels: | Training | |
| CAS: | 118-90-1 | |
| InChi Code: | InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10) |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -0.22 |
experimental value |
| -0.58 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6026161 | US EPA CompTox Dashboard |