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:	Table4-3
	Name:	2-Acetylcyclohexanone
	Description:
	Labels:	Predicting
	CAS:	874-23-7
	InChi Code:	InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3

Properties

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

Value	Source or prediction
0.380	Eq3: Model for all Schiff base formers, up to logP = 4 (Assessed compounds)

Links to External Resources

Link	Resource description
DTXSID0049365	US EPA CompTox Dashboard