Isopentyl isobutyrate

Catalog	ACM2050013-1
CAS	2050-01-3
Structure
Synonyms	Propanoic acid, 2-methyl-, 3-methylbutyl ester
IUPAC Name	3-Methylbutyl 2-methylpropanoate
Molecular Weight	158.24
Molecular Formula	C9H18O2
Canonical SMILES	CC(C)CCOC(=O)C(C)C
InChI	InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
InChI Key	VFTGLSWXJMRZNB-UHFFFAOYSA-N
Boiling Point	169-171 °C
Melting Point	-73 °C
Flash Point	129 °F
Purity	98%+
Density	0.856 g/mL at 25 °C(lit.)
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.406(lit.)
Topological Polar Surface Area	26.3 Ų