Hexyl Salicylate

Catalog	ACM6259763
CAS	6259-76-3
Structure
Description	Hexyl salicylate may be used as an internal standard for the determination of allergenic ester, benzyl salicylate in propolis specimens using gas chromatography-mass spectrometry (GC/MS), high-performance liquid chromatography (HPLC), and ultraviolet-visible (UV/Vis) spectrophotometry. It may also be used as a standard fragrance material for the quantification of the analyte in wastewater treatment plants using gas chromatography-mass spectrometry (GC?MS).
Synonyms	Benzoic acid, 2-hydroxy-, hexyl ester
IUPAC Name	Hexyl 2-hydroxybenzoate
Molecular Weight	222.28
Molecular Formula	C13H18O3
Canonical SMILES	CCCCCCOC(=O)C1=CC=CC=C1O
InChI	InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
InChI Key	DUKPKQFHJQGTGU-UHFFFAOYSA-N
Boiling Point	290 °C
Flash Point	>230 °F
Purity	95%+
Density	1.04 g/mL at 25 °C(lit.)
Exact Mass	222.125594432
Monoisotopic Mass	222.125594432
Physical State	Oily liquid
Refractive Index	n20/D 1.505(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	46.5 Ų