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_104
	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

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

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

Links to External Resources

Link	Resource description
DTXSID2026602	US EPA CompTox Dashboard