title: Natural abundance 2H-ERETIC-NMR authentication of the origin of methyl salicylate.
abstract: Methyl salicylate is a compound currently used in the creation of many flavors. It can be obtained by synthesis or from two natural sources: essential oil of wintergreen and essential oil of sweet birch bark. Deuterium site-specific natural isotope abundance (A(i)) determination by NMR spectroscopy with the method of reference ERETIC ((2)H-ERETIC-NMR) has been applied to this compound. A(i) measurements have been performed on 19 samples of methyl salicylate from different origins, natural/synthetic and commercial/extracted. This study demonstrates that appropriate treatment performed on the data allows discrimination between synthetic and natural samples. Moreover, the representation of intramolecular ratios R(6/5) as a function of R(3/2) distinguishes between synthetics, wintergreen oils, and sweet birch bark oils.
authors.affiliation: LAIEM, UMR 6006 CNRS, Université de Nantes, France. flore.legrand@degussa.com
authors.forename: Flore
authors.initials: F
authors.lastname: Le Grand
authors.forename: Gerard
authors.initials: G
authors.lastname: George
authors.forename: Serge
authors.initials: S
authors.lastname: Akoka
mesh_terms: D029662:Betula / Q000737:chemistry; D003903:Deuterium; D009682:Magnetic Resonance Spectroscopy; D009822:Oils, Volatile / Q000737:chemistry; D024301:Plant Bark / Q000737:chemistry; D012459:Salicylates / Q000032:analysis / Q000737:chemistry / Q000145:classification*
chemical_list: D009822:Oils, Volatile; D012459:Salicylates; D003903:Deuterium; C033069:methyl salicylate