Butyl isovalerate

Catalog	ACM109193
CAS	109-19-3
Structure
Synonyms	Butyl isopentanoate
IUPAC Name	Butyl 3-methylbutanoate
Molecular Weight	158.24
Molecular Formula	C9H18O2
Canonical SMILES	CCCCOC(=O)CC(C)C
InChI	InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
InChI Key	AYWJSCLAAPJZEF-UHFFFAOYSA-N
Boiling Point	175 °C
Melting Point	-92.8 °C
Flash Point	145 °F
Purity	98%+
Density	0.858 g/mL at 25 °C(lit.)
Solubility	Soluble in organic solvents, alcohol; insoluble in water
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.409(lit.)
Topological Polar Surface Area	26.3 Ų