Octyl isobutyrate

Catalog	ACM109159-1
CAS	109-15-9
Structure
Synonyms	Caprylyl isobutyrate
IUPAC Name	Octyl 2-methylpropanoate
Molecular Weight	200.32
Molecular Formula	C12H24O2
Canonical SMILES	CCCCCCCCOC(=O)C(C)C
InChI	InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3
InChI Key	PQCYCHFQWMNQRJ-UHFFFAOYSA-N
Boiling Point	245 °C
Melting Point	-56 °C
Flash Point	206 °F
Purity	95%+
Density	0.856 g/mL at 25 °C(lit.)
Solubility	water, 4.064 mg/L @ 25 °C (est)
Appearance	Colorless to pale yellow clear liquid
Exact Mass	200.177630004
Monoisotopic Mass	200.177630004
Odor	Herbaceous odor
Physical State	Liquid
Refractive Index	n20/D 1.421(lit.)
Topological Polar Surface Area	26.3 Ų