Identification of novel compounds in rose absolute with gas chromatography/high-resolution mass spectrometry was written by Remy, Pierre-Alain;Sarrazin, Elise;Peres, Christophe;Dugay, Jose;David, Nathalie;Vial, Jerome. And the article was included in Flavour and Fragrance Journal in 2022.Synthetic Route of C12H20O2 This article mentions the following:
Gas Chromatog./High-Resolution Mass Spectrometry (HRMS) was used to identify new compounds in Rosa damascena and Rosa centifolia absolutes. These compounds were esters derived from the main alcs. of rose absolute (phenylethyl alc., geraniol, citronellol, nerol, and (E,E)-farnesol). Based on low-resolution mass spectrometry (LRMS) and HRMS data of rose absolutes, hypotheses were first formulated. In a second stage, the standards of these candidate structures were synthesized and analyzed by LRMS using apolar and polar columns. LRMS spectra of these standards, and apolar and polar retention indexes (RI) were compared with those of candidate structures. Only four out of nineteen mols. were validated by these three criteria mostly due to an important difference of polar RIs between the standards and the compounds detected in rose absolutes. In a third stage, absolutes were spiked with synthesized standards and were analyzed by HRMS on both apolar and polar columns to confirm the presence of these candidate structures. Finally, 19 new compounds were identified in Rosa damascena and Rosa centifolia absolutes. In the experiment, the researchers used many compounds, for example, (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3Synthetic Route of C12H20O2).
(E)-3,7-Dimethylocta-2,6-dien-1-yl acetate (cas: 105-87-3) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Synthetic Route of C12H20O2
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics