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_9 | |
|---|---|---|
| Name: | Phenol, 2,4-dimethyl- | |
| Description: | ||
| Labels: | ||
| CAS: | 105-67-9 | |
| InChi Code: | InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.88 |
experimental value |
| 1.16 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021864 | US EPA CompTox Dashboard |