Heptanoic acid, butyl ester

CAS	5454-28-4
Structure
Synonyms	Enanthic acid butyl ester
IUPAC Name	Butyl heptanoate
Molecular Weight	186.29
Canonical SMILES	CCCCCCC(=O)OCCCC
InChI	InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChI Key	YPQSPODHFDGVAC-UHFFFAOYSA-N
Boiling Point	226 °C
Melting Point	-67.5 °C
Flash Point	188 °F
Purity	95%+
Density	0.863 g/mL at 25 °C(lit.)
Solubility	Soluble in most organic solvents
Exact Mass	186.16197994
Monoisotopic Mass	186.16197994
Odor	Slightly fruity odor
Physical State	Liquid
Refractive Index	n20/D 1.421(lit.)
Topological Polar Surface Area	26.3 Ų