Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1163
	Name:	2,4-di-tert-butylphenol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenol. 2.4-bis(1.1-dimethylethyl)-
	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

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.369174539	experimental value
-0.2878	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID2026602	US EPA CompTox Dashboard