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:	83
	Name:	3-pentanone
	Description:
	Labels:	Training
	CAS:	96-22-0
	InChi Code:	InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

Properties

PBT_Index: PBT Index i

Value	Source or prediction
-1.78	experimental value
-1.47	Eq1: Full Model (Training set)

Links to External Resources

Link	Resource description
DTXSID6021820	US EPA CompTox Dashboard