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: | 179 | |
|---|---|---|
| Name: | ethyl ethanoate | |
| Description: | Original non-IUPAC name was: acetic acid ethyl ester | |
| Labels: | Training | |
| CAS: | 141-78-6 | |
| InChi Code: | InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3 |
Properties
PBT_Index: PBT Index i
| Value | Source or prediction |
|---|---|
| -1.04 |
experimental value |
| -1.44 |
Eq1: Full Model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022001 | US EPA CompTox Dashboard |