Raman spectroscopy for identification and quantification analysis of essential oil varieties: a multivariate approach applied to lavender and lavandin essential oils

Lavender (Lavandula angustifolia) is used for cosmetics, perfumes and medicine (antimicrobial activity and relaxant properties) while lavandin (sterile hybrid of L. angustifolia P. Mill.xLavandula latifolia (L.f.) Medikus) is used for air fresheners, deodorants and soaps. These plants are widely cultivated for essential oil production. In this study, 104 samples were analyzed including 62 lavandin and 42 lavender oil samples from several varieties. The Raman spectra are similar but can be differentiated by chemometrics treatment. Data structure may be studied by PCA. A PLS regression model was used for quantitative analysis of the main compounds such as linalyl acetate, linalool and eucalyptol. The reference data were obtained by gas chromatography. The performance of the method was also tested to discriminate between the two species and the seven varieties (Abrial, Fine, Grosso, Maillette, Matherone, Sumian and Super) by PLS-DA regression. The examination of PLS and PLS-DA regression coefficients allowed for the identification of species and of the varieties' metabolomic markers. Copyright (c) 2015 John Wiley & Sons, Ltd.