Method for Predicting Odor Intensity of Perfumery Raw Materials Using Dose-Response Curve Database was written by Wakayama, Hideki;Sakasai, Mitsuyoshi;Yoshikawa, Keiichi;Inoue, Michiaki. And the article was included in Industrial & Engineering Chemistry Research in 2019.Synthetic Route of C9H10O3 This article mentions the following:
The main purpose of this study is to facilitate fragrance development on the basis of scientific knowledge. To this end, data on 314 perfumery raw materials (PRMs) showing the relationship between PRM odor intensity and gas concentration were obtained, and a calculation model for the data was then developed with the following features: (1) maximum PRM coverage, (2) calculating values implying odor intensity from only arbitrary gas concentration, and (3) estimating odor intensity from the calculated values directly and easily. To verify the prediction accuracy of this model, the predicted odor intensity was compared with the evaluated value for both single component and a mixture, and the same degree of root mean square error (RMSE) was confirmed. RMSE in the single component was 6.22 while that in the mixture was 6.69. Thus, the odor intensity of a PRM or mixture can be predicted from arbitrary gas concentrations In the experiment, the researchers used many compounds, for example, Ethyl 2-hydroxybenzoate (cas: 118-61-6Synthetic Route of C9H10O3).
Ethyl 2-hydroxybenzoate (cas: 118-61-6) belongs to esters. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Synthetic Route of C9H10O3
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics