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: | 22 | |
|---|---|---|
| Name: | Isooctyl acrylate monomer | |
| Description: | ||
| Labels: | ||
| CAS: | 29590-42-9 | |
| InChi Code: | InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3 |
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) |
MCGM: Mammalian cell gene mutation test class
| Value | Source or prediction |
|---|---|
| non-mutagen |
experimental value |
| mutagen |
Eq5: Model for α,β-unsaturated carbonyl compounds (Training set) |