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:	10
	Name:	Hexan-2-one
	Description:
	Labels:	Training
	CAS:	591-78-6
	InChi Code:	InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

Properties

logRD50: Respiratory sensitisation as logarithm of toxicity

Value	Source or prediction
2.41	experimental value
2.24992	Tbl.4: Michael acceptors as respiratory irritants (Training set)

Links to External Resources

Link	Resource description
DTXSID0022068	US EPA CompTox Dashboard