Claeys, L.; Iaccino, F.; Janssen, C. R.; Van Sprang, P.; Verdonck, F. Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish. Environ. Toxicol. Chem. 2013, 32, 2217–2225.
Compound
| ID: | p41 | |
|---|---|---|
| Name: | 4-(1,1,3,3-tetramethylbutyl)phenol | |
| Description: | ||
| Labels: | ||
| CAS: | 140-66-9 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 |
Properties
NOEC: Chronic fish toxicity as logNOEC [log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -4.24 |
experimental value |
| -3.519 |
Tab3.Eq2: Polar narcosis (Training set) |
| -3.468 |
QMRF2: Polar narcosis (Training set) |