Determination of descriptors for fragrance compounds by gas chromatography and liquid-liquid partition
Thushara Karunasekara1, Colin F Poole
1Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.
Abstract:
Retention factors on a minimum of eight stationary phases at various temperatures by gas-liquid chromatography and liquid-liquid partition coefficients for five totally organic biphasic systems were combined to estimate descriptors for 28 fragrance compounds with an emphasis on compounds that are known or potential allergens. The descriptors facilitated the estimation of several properties of biological and environmental interest (sensory irritation threshold, odor detection threshold, nasal pungency threshold, skin permeability from water, skin-water partition coefficients, octanol-water partition coefficients, absorption by air particles, adsorption by diesel soot particles, air-water partition coefficients, and adsorption by film water). The descriptors are suitable for use in the solvation parameter model and facilitate the estimation of a wide range of physicochemical, chromatographic, biological, and environmental properties using existing models.
Related Concept Videos
Gas Chromatography: Introduction
In GC, a sample is vaporized and mixed with an inert carrier gas (the mobile phase), which transports it through a column.
Gas Chromatography–Mass Spectrometry (GC–MS)
A gas chromatograph consists of a long, narrow capillary column with a polysiloxane coating on the inner wall. The coating...
Chromatographic Methods: Classification
Chromatographic techniques are typically named by...
Gas Chromatography: Types of Columns and Stationary Phases
For an analyte to remain on the column for a sufficient amount of time, it must exhibit some level of compatibility (or...
Gas Chromatography: Overview of Detectors
A non-destructive detector allows a sample to be analyzed without altering or consuming it, meaning the sample can be collected after detection for further analysis. Examples include thermal conductivity detectors and...
Gas Chromatography: Types of Detectors-I
TCD is the earliest and most widely used detector that operates by measuring the changes in the thermal conductivity of the carrier gas. When a sample compound enters the detector,...


