Isopentyl nonanoate

CAS	7779-70-6
Structure
Synonyms	Nonanoic acid isoamyl ester
IUPAC Name	3-Methylbutyl nonanoate
Molecular Weight	228.37
Canonical SMILES	CCCCCCCCC(=O)OCCC(C)C
InChI	InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(15)16-12-11-13(2)3/h13H,4-12H2,1-3H3
InChI Key	SHGMLOSSRPFLKG-UHFFFAOYSA-N
Boiling Point	260 °C
Flash Point	>230 °F
Purity	95%+
Density	0.86 g/mL at 25 °C(lit.)
Solubility	Soluble in ethanol, insoluble in water
Exact Mass	228.208930132
Monoisotopic Mass	228.208930132
Odor	Nutty, oily, apricot-like odor
Physical State	Oily liquid
Refractive Index	n20/D 1.429(lit.)
Topological Polar Surface Area	26.3 Ų