Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

	ID:	149
	Name:	beta-ionone
	Description:
	Labels:
	CAS:	14901-07-6
	InChi Code:	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

Properties

AMES: Ames test mutagenicity class

Value	Source or prediction
non-mutagen	experimental value
non-mutagen	Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)