Isobutyl octanoate

CAS	5461-06-3
Structure
Synonyms	Octanoic acid, 2-methylpropyl ester
IUPAC Name	2-Methylpropyl octanoate
Molecular Weight	200.32
Canonical SMILES	CCCCCCCC(=O)OCC(C)C
InChI	InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3
InChI Key	CFQRBRGFNFRMBD-UHFFFAOYSA-N
Boiling Point	231.9±8.0 °C
Flash Point	108 °C
Purity	95%+
Density	0.86 g/mL at 25 °C(lit.)
Exact Mass	200.177630004
Monoisotopic Mass	200.177630004
Refractive Index	n20/D 1.421-1.424(lit.)
Topological Polar Surface Area	26.3 Ų