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:	349
	Name:	butyl 2-methylprop-2-enoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Butylmethacrylate
	Labels:
	CAS:	97-88-1
	InChi Code:	InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3

Properties

M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
0.65	experimental value
0.8675	Tab2.Model_7: Esters D. magna EC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID4024696	US EPA CompTox Dashboard