Enoch, S. J.; Roberts, D. W. Predicting Skin Sensitization Potency for Michael Acceptors in the LLNA Using Quantum Mechanics Calculations. Chem. Res. Toxicol. 2013, 26, 5, 767-774.
Compound
| ID: | 1 | |
|---|---|---|
| Name: | Ethyl acrylate | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3 |
Properties
pEC3: Skin sensitisation potency in the local lymph node assay (LLNA) as log(1/EC3) [log(L/mol)]
| Value | Source or prediction |
|---|---|
| 0.55 |
experimental value |
| 1.45 |
Eq1: Initial correlation with all data (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4020583 | US EPA CompTox Dashboard |