Papa, E.; Gramatica, P. QSPR as a support for the EU REACH regulation and rational design of environmentally safer chemicals: PBT identification from molecular structure. Green Chem. 2010, 12, 836-843.

Compound

	ID:	141
	Name:	1-hexanol
	Description:
	Labels:	Training
	CAS:	111-27-3
	InChi Code:	InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-1.49	experimental value
-2	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID8021931	US EPA CompTox Dashboard