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: | Tab2_99 | |
|---|---|---|
| Name: | Phenol, 2,4-bis(1,1-dimethylethyl)- | |
| Description: | ||
| Labels: | ||
| CAS: | 96-76-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
Properties
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.31 |
experimental value |
| 2.33 |
Eq.4: Model for aromatic amines and phenols (algae) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2026602 | US EPA CompTox Dashboard |