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: | 167 | |
|---|---|---|
| Name: | butanal | |
| Description: | ||
| Labels: | Training | |
| CAS: | 123-72-8 | |
| InChi Code: | InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.63 |
experimental value |
| -1.41 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021513 | US EPA CompTox Dashboard |