Prediction of odor detection thresholds using partition coefficients

• Type: Article in International Scientific Journal
• Date: 2011

Authors

Oscar Rodríguez (Author) FEUP; Miguel A. Teixeira (Author) FEUP; Alírio E. Rodrigues (Author) FEUP

Journal

Title: Flavour and Fragrance Journal

Vol. 26 No. 6

Pages: 421-428

ISSN: 0882-5734

Publisher: Wiley-Blackwell

Indexing

ISI Web of Science

Scopus

Scientific classification

FOS: Engineering and technology > Other engineering and technologies

Other information

Abstract (EN): A linear regression between odour detection thresholds and three basic physical properties (vapour pressure, water solubility and octanol/water partition coefficient) has been derived. The principles underlying this model are the transport process of the odorants from air to the olfactory neurons in the nasal epithelium. The regression was applied to odour detection thresholds measured from different authors separately, showing similar parameters. A general linear regression was obtained for odour detection threshold data from several authors and 121 chemicals. This regression allows a preliminary estimation of odour detection thresholds from literature data with fair accuracy. The coefficient of determination obtained, r2 = 0.769, indicates that these physical properties account for 77% of the odour threshold variance.

Language: English

Type (Professor's evaluation): Scientific

Notes: odour detection threshold; octanol–water partition coefficient; prediction model; fragrances