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:	380
	Name:	hexyl prop-2-enoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexylacrylate
	Labels:
	CAS:	2499-95-8
	InChi Code:	InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3

Properties

M6.pLC50: Fathead minnow toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
2.14	experimental value
1.9905	Tab2.Model_6: Esters P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID5022194	US EPA CompTox Dashboard