학술논문

An Algorithm for 353 Odor Detection Thresholds in Humans
Document Type
article
Source
Chemical Senses. 37(3)
Subject
Volatile organic compounds
linear free energy relationships
sensory irritation
psychometric odor functions
Language
Abstract
One hundred and ninety three odor detection thresholds, ODTs, obtained by Nagata using the Japanese triangular bag method can be correlated as log (1/ODT) by a linear equation with R2 = 0.748 and a standard deviation, SD, of 0.830 log units; the latter may be compared to our estimate of 0.66 log units for the self-consistency of Nagata’s data. Aldehydes, acids, unsaturated esters and mercaptans were included in the equation through indicator variables that took into account the higher potency of these compounds. The ODTs obtained by Cometto-Muñiz and Cain, by Cometto-Muñiz and Abraham, and by Hellman and Small could be put on the same scale as those of Nagata to yield a linear equation for 353 ODTs with R2 = 0.759 and SD = 0.819 log units. The compound descriptors are available for several thousand compounds, and can be calculated from structure, so that further ODT values on the Nagata scale can be predicted for a host of volatile or semivolatile compounds.