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:	A
	Name:	2-tert-butylphenol
	Description:
	Labels:
	CAS:	88-18-6
	InChi Code:	InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3

Properties

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

Value	Source or prediction
1.61	experimental value
1.39	Eq.3: Model for aromatic amines and phenols (fish) (Validation set)

pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]

Value	Source or prediction
2.06	experimental value
1.26	Eq.4: Model for aromatic amines and phenols (algae) (Validation set)

Links to External Resources

Link	Resource description
DTXSID2026525	US EPA CompTox Dashboard