Analysis of chemosensory markers in cigarette smoke from different tobacco varieties by GC×GC-TOFMS and chemometrics was written by Schwanz, Thiago G.;Bokowski, Liane V. V.;Marcelo, Marcelo C. A.;Jandrey, Angela C.;Dias, Jailson C.;Maximiano, Daniel H.;Canova, Luciana S.;Pontes, Oscar F. S.;Sabin, Guilherme P.;Kaiser, Samuel. And the article was included in Talanta in 2019.Computed Properties of C9H12O3 The following contents are mentioned in the article:
Com. cigarettes are made from a blend of different tobacco varieties, which in turn are the results of different agronomic practices and post-harvest curing processes. The highly complex mixture of smoke compounds reflects each tobacco variety and the levels of sensory-relevant markers. Therefore, the aim of this work was to identify potential relevant chemosensory markers in the mainstream smoke of four main types of com. tobaccos and establish any possible relationship between them and the tobacco growing/curing practices. The tobacco samples were segregated into four segments: (1) three curing stages of flue-cured Virginia, (2) three curing stages of air-cured Burley, (3) three geo-regions of sun-cured Oriental and (4) three different process applied to tobacco. One hundred and twenty cigarettes (10 batches per flavor category) were produced and smoked under standard machine-smoking protocols. The mainstream smoke samples collected were extracted and analyzed by GC × GC TOFMS. The processed data was analyzed by partial least square discriminant anal. (PLS-DA) and the selectivity ratio was used to identify key chemosensory markers responsible for the four segments. All models had sensitivity and specificity equal to unity. Flue-cured Virginia (193 markers) and air-cured Burley (184 markers) showed a similar trend for O-heterocycles markers in the lighter leaf colors and N-heterocycles in the darker leaf colors post-processing, but they had compounds of different flavor descriptions, e. g. sweet and nutty. The three geo-regions of sun-cured Oriental (290 markers) also presented O-heterocycles markers in correlation with leaf sugar contents in addition of sucrose esters markers. The three unusually processed tobacco generated many chem. markers (436 markers), some derived from the so-called Cavendish fermentation process with sweet, spicy and peppery notes, whereas the dark fermented air-cured tobacco presented similar descriptors as air-cured Burley. In addition, some polycyclic aromatic hydrocarbons (PAH) were detected as markers from the fire-curing process. The PLS-DA with selectivity ratio evidenced total of 1098 chemosensory markers in cigarette smoke, in which 173 were tentatively identified. This study involved multiple reactions and reactants, such as 4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1Computed Properties of C9H12O3).
4-Hydroxy-3-methoxyphenethanol (cas: 2380-78-1) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Computed Properties of C9H12O3
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem