Isopentyl octanoate

CAS	2035-99-6
Synonyms	Octanoic acid, 3-methylbutyl ester
IUPAC Name	3-Methylbutyl octanoate
Molecular Weight	214.34
Canonical SMILES	CCCCCCCC(=O)OCCC(C)C
InChI	InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3
InChI Key	XKWSWANXMRXDES-UHFFFAOYSA-N
Boiling Point	267-268 °C
Melting Point	-34.8 °C
Flash Point	>230 °F
Purity	98%+
Density	0.861 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in propylene glycol, insoluble in glycerol and water
Exact Mass	214.193280068
Monoisotopic Mass	214.193280068
Physical State	Liquid
Refractive Index	n20/D 1.426(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų