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:	7
	Name:	Methyl crotonate
	Description:
	Labels:	Training
	CAS:	623-43-8
	InChi Code:	InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+

Properties

logRD50: Respiratory sensitisation as logarithm of toxicity

Value	Source or prediction
2.31	experimental value
1.8672	Tbl.4: Michael acceptors as respiratory irritants (Training set)