Benzoic acid, hexyl ester

CAS	6789-88-4
Structure
Synonyms	Hexylester kyseliny benzoove
IUPAC Name	Hexyl benzoate
Molecular Weight	206.28
Canonical SMILES	CCCCCCOC(=O)C1=CC=CC=C1
InChI	InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI Key	UUGLJVMIFJNVFH-UHFFFAOYSA-N
Boiling Point	272 °C
Flash Point	>230 °F
Purity	98%+
Density	0.98 g/mL at 25 °C(lit.)
Solubility	Insoluble in water, glycerol; soluble in organic solvents, oils
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Physical State	Liquid
Refractive Index	n20/D 1.493(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų