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: | 50 | |
|---|---|---|
| Name: | methyl 2-methylpropenoate | |
| Description: | Original non-IUPAC name was: 2-propenoic acid, 2-methyl-, methyl ester | |
| Labels: | Training | |
| CAS: | 80-62-6 | |
| InChi Code: | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.45 |
experimental value |
| -1.25 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020844 | US EPA CompTox Dashboard |