Butanoic acid, hexyl ester

CAS	2639-63-6
Structure
IUPAC Name	Hexyl butyrate
Molecular Weight	172.26
Canonical SMILES	CCCCCCOC(=O)CCC
InChI	InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChI Key	XAPCMTMQBXLDBB-UHFFFAOYSA-N
Boiling Point	205 °C
Melting Point	-78 °C
Flash Point	178 °F
Purity	98%+
Density	0.851 g/mL at 25 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.417(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų