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:	106
	Name:	2-methyl-2-propenal
	Description:
	Labels:
	CAS:	78-85-3
	InChi Code:	InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3

Properties

AMES: Ames test mutagenicity class

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

MCGM: Mammalian cell gene mutation test class

Value	Source or prediction
mutagen	experimental value
mutagen	Eq5: Model for α,β-unsaturated carbonyl compounds (Training set)