Published:Journal of Chromatographic Science,
ISSN 0021-9665Volume
38, Number 9, September 000, pp. 377-382
Measurement
of Gas–Liquid Partition Coefficient and Headspace Concentration Profiles
of Perfume Materials by Solid-Phase Microextraction and Capillary Gas Chromatography–Mass
SpectrometryZ.
Liu and M.J. Wene Laundry & Cleaning Products, Product Safety, Regulatory and Analytical
Sciences, Sharon Woods Technical Center, The Procter & Gamble Company, 11520
Reed Hartman Highway, Cincinnati, OH, 45241
An empirical
model describing the relationship between the partition coefficients (K) of
perfume materials in the solid-phase microextraction (SPME) fiber stationary
phase and the Linearly Temperature Programmed Retention Index (LTPRI) is obtained.
This is established using a mixture of eleven selected fragrance materials spiked
in mineral oil at different concentration levels to simulate liquid laundry
detergent matrices. Headspace concentrations of the materials are measured using
both static headspace and SPME–gas chromatography analysis. The empirical
model is tested by measuring the K values for fourteen perfume materials experimentally.
Three of the calculated K values are within 2–19% of the measured K value,
and the other eleven calculated K values are within 22–59%. This range
of deviation is understandable because a diverse mixture was used to cover most
chemical functionalities in order to make the model generally applicable. Better
prediction accuracy is expected when a model is established using a specific
category of compounds, such as hydrocarbons or aromatics. The use of this method
to estimate distribution constants of fragrance materials in liquid matrices
is demonstrated. The headspace SPME using the established relationship between
the gas–liquid partition coefficient and the LTPRI is applied to measure
the headspace concentration of fragrances. It is demonstrated that this approach
can be used to monitor the headspace perfume profiles over consumer laundry
and cleaning products. This method can provide high sample throughput, reproducibility,
simplicity, and accuracy for many applications for screening major fragrance
materials over consumer products. The approach demonstrated here can be used
to translate headspace SPME results into true static headspace concentration
profiles. This translation is critical for obtaining the gas-phase composition
by correcting for the inherent differential partitioning of analytes into the
fiber stationary phase.
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