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_23
	Name:	Phenol, 2,4-bis(1,1-dimethylpropyl)-
	Description:
	Labels:
	CAS:	120-95-6
	InChi Code:	InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID9026974	US EPA CompTox Dashboard