Acetic acid octyl ester

Catalog	ACM112141-1
CAS	112-14-1
Structure
Synonyms	Acetic acid n-octyl ester
IUPAC Name	Octyl acetate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CCCCCCCCOC(=O)C
InChI	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChI Key	YLYBTZIQSIBWLI-UHFFFAOYSA-N
Boiling Point	211 °C
Melting Point	-38.5 °C
Flash Point	187 °F
Purity	99%
Density	0.868 g/mL at 25 °C(lit.)
Solubility	Miscible with alcohol, most fixed oils, organic solvents; insoluble in water
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.418(lit.)
Topological Polar Surface Area	26.3 Ų