Feasibility of different chemometric techniques to differentiate commercial Brazilian sugarcane spirits based on chemical markers

Chemometric techniques were used to assess the quality of 51 commercial Brazilian sugarcane spirits (cachaca) based on chemical markers. Benzo(a)pyrene, methanol, 2,3-methyl-1-butanol, acetaldehyde, isobutyl alcohol, n-propanol, density, alcoholic strength, and higher alcohols were quantified using chromatographic methods and results were subjected to Principal Component Analysis (PCA), Hierarchical Cluster Analysis (HCA), and Linear Discriminant Analysis (LDA). No significant differences (p >= 0.071) were observed in the chemical markers of Brazilian aged and non-aged cachaca samples. Besides non-significant (p = 0.922), the content of benzo(a) pyrene in aged sugarcane spirits was 1.83 times higher than in non-aged ones. Differences in alcoholic strength (p = 0.001) and n-propanol (p = 0.015) were observed among cachacas produced by double distilling, alembic and in stainless steel columns. PCA was not suitable to separate the samples according to the provenance, aging and distilling process, while HCA was effective in separating alembic cachacas produced by from two distinct producing regions. LDA seemed to be very suitable to assess not only the provenance but also the distilling and aging processes that cachaga undergoes, yielding about 91% accuracy to discriminate non-aged from aged cachaga, 81.82% and 86.61% accuracy to discriminate samples from Minas Gerais and Sao Paulo, respectively. (c) 2013 Elsevier Ltd. All rights reserved.