Schultz, T.W.; Carlson, R.E.; Cronin, M.T.D.; Hermens, J.L.M.; Johnson, R.; O’Brien, P.J.; Roberts, D.W.; Siraki, A.; Wallace, K.B.; Veith, G.D. A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity. SAR QSAR Environ. Res. 2006, 17, 413–428.
Compound
| ID: | 3 | |
|---|---|---|
| Name: | Crotonaldehyde | |
| Description: | ||
| Labels: | Training | |
| CAS: | 123-73-9 | |
| InChi Code: | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ |
Properties
logRD50: Respiratory sensitisation as logarithm of toxicity
| Value | Source or prediction |
|---|---|
| 0.55 |
experimental value |
| 0.62336 |
Tbl.4: Michael acceptors as respiratory irritants (Training set) |