Roberts, D. W.; Aptula, A. O.; Patlewicz, G. Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization. Chem. Res. Toxicol. 2006, 19, 9, 1228–1233.

Compound

	ID:	Table1-4
	Name:	2-Methylundecanal
	Description:
	Labels:	Predicting
	CAS:	110-41-8
	InChi Code:	InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3

Properties

pEC3: Skin sensitization potency in the local lymph node assay (LLNA) as log(1/EC3) [log(L/mol)] i

Value	Source or prediction
1.27	experimental value
1.627	Eq3: Model for all Schiff base formers, up to logP = 4 (Assessed compounds: outliers)

Links to External Resources

Link	Resource description
DTXSID9047629	US EPA CompTox Dashboard