Molecular structural discrimination of chemical compounds in body odor using their GC-MS chromatogram and clustering methods was written by Jha, Sunil Kr.;Hayashi, Kenshi. And the article was included in International Journal of Mass Spectrometry in 2017.Recommanded Product: 2-Ethylhexyl benzoate The following contents are mentioned in the article:
In the present study, body odor samples have been collected according to different sampling protocols and characterized using the gas chromatog. (GC)-mass spectrometry (MS) technique with the objective to investigate the existence of different volatile organic compounds (VOCs) belonging to several chem. classes in body odor composition Moreover, the characterization outcomes have been validated by analyzing spectral information using substantial clustering methods. Specifically, the data matrix based on peak height of chem. compounds in each experiment has been analyzed by using six clustering methods, including principal component anal. (PCA), k-means clustering, fuzzy c-means clustering, hierarchical cluster anal., fuzzy clustering, and k-medoids clustering. Chem. compounds were well clustered into several groups with each of the implemented clustering methods which endorse the exptl. characterization outcomes and establishes the existence of VOCs from multiple chem. classes in body odor composition This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Recommanded Product: 2-Ethylhexyl benzoate).
2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Recommanded Product: 2-Ethylhexyl benzoate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics