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: | 8 | |
|---|---|---|
| Name: | 3,5,5-Trimethyl-2-cyclohexen-1-one | |
| Description: | ||
| Labels: | Training | |
| CAS: | 78-59-1 | |
| InChi Code: | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
Properties
logRD50: Respiratory sensitisation as logarithm of toxicity
| Value | Source or prediction |
|---|---|
| 1.44 |
experimental value |
| 1.8971 |
Tbl.4: Michael acceptors as respiratory irritants (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8020759 | US EPA CompTox Dashboard |