Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

	ID:	84
	Name:	Isobutyl acetate
	Description:
	Labels:	Blood, in_vitro
	CAS:
	InChi Code:	InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

Properties

logBB: Blood-brain distribution

Value	Source or prediction
0.45	experimental value
0.2216	Eq4: Model for VOCs, in vitro (Training set)
0.1097	Eq5: Model for all chemicals, in vivo and in vitro (Training set)

Links to External Resources

Link	Resource description
DTXSID5026837	US EPA CompTox Dashboard