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_73
	Name:	Phenol, 2,4,6-tris(1,1-dimethylethyl)-
	Description:
	Labels:
	CAS:	732-26-3
	InChi Code:	InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

Properties

pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
3.63	experimental value
3.38	Eq.3: Model for aromatic amines and phenols (fish) (Training set)

Links to External Resources

Link	Resource description
DTXSID2021311	US EPA CompTox Dashboard