Dictionary of the raw materials of perfumery and some cosmetic and toiletry products

Poucher, W. A.

doi:10.1007/978-94-010-9672-0_1

Cited by 2 publications

(1 citation statement)

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“…It has flavor and fragrance properties occurring naturally in various plants including some herbs, distinct food resources, and essential oils. Natural ME is used as a flavoring agent in food and as a fragrance in cosmetic products [ 11 ]; synthesized ME is used as an insect attractant but not used as a flavoring agent in food and fragrance in cosmetic products as it may cause cancer in humans/animals [ 12 , 13 ]. It is also used in low/high concentration for fruit fly attractant/replant [ 14 ].…”

Section: Introductionmentioning

confidence: 99%

Experimental IR, Raman, and UV-Vis Spectra DFT Structural and Conformational Studies: Bioactivity and Solvent Effect on Molecular Properties of Methyl-Eugenol

Yadav

et al. 2023

Molecules

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Structural, conformational, and spectroscopic investigations of methyl-eugenol were made theoretically at the B3LYP-6-311++G**level. Experimental IR, Raman, and UV-vis spectra were investigated and analyzed in light of the computed quantities. Conformational analysis was carried out with the help of total energy vs. dihedral angle curves for different tops, yielding 21 stable conformers, out of which only two have energies below the room temperature relative to the lowest energy conformer. The effect of the solvent on different molecular characteristics was investigated theoretically. MEP and HOMO-LUMO analysis were carried out and barrier heights and bioactivity scores were determined. The present investigation suggests that the molecule has three active sites with moderate bioactivity. The solvent–solute interaction is found to be dominant in the vicinity of the methoxy moieties.

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