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: | 21 | |
|---|---|---|
| Name: | Methyl acrylate | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 |
Properties
pEC3: Skin sensitisation potency in the local lymph node assay (LLNA) as log(1/EC3) [log(L/mol)]
| Value | Source or prediction |
|---|---|
| 0.63 |
experimental value |
| 1.45 |
Eq1: Initial correlation with all data (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0024183 | US EPA CompTox Dashboard |