Journal
CHEMICAL SENSES
Volume 37, Issue 3, Pages 207-218Publisher
OXFORD UNIV PRESS
DOI: 10.1093/chemse/bjr094
Keywords
linear free energy relationships; psychometric odor functions; sensory irritation; volatile organic compounds
Funding
- National Institute on Deafness and Other Communication Disorders [R01 DC002741, R01 DC005003, R01 DC56602]
- National Institutes of Health
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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 R-2 = 0.748 and a standard deviation, SD, of 0.830 log units; the latter may be compared with 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-Muniz and Cain, by Cometto-Muniz 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 R-2 = 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.
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