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)