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:	1639
	Name:	2-methyl-4-phenylbutan-2-ol
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzyl-tert-butanol
	Labels:
	CAS:	103-05-9
	InChi Code:	InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
3.39	experimental value
4.4769	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID3021851	US EPA CompTox Dashboard