Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.
Compound
| ID: | Tab1_23 | |
|---|---|---|
| Name: | Phenol, 2,4-bis(1,1-dimethylpropyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 120-95-6 | |
| InChi Code: | InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.91 |
experimental value |
| 3.21 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9026974 | US EPA CompTox Dashboard |