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Partition coefficients for nonane and its isomers in the rat
G Joshi1, R T Tremblay, S A Martin
1College of Public Health, Department of Environmental Health Science, University of Georgia, Athens, Georgia, USA.
Toxicology Mechanisms and Methods
|October 6, 2010
Summary
Partition coefficient values for nonane isomers were determined, showing a correlation with octanol/water values and varying by tissue type. This data aids in developing jet fuel pharmacokinetic models.
Area of Science:
- Toxicology
- Pharmacokinetics
- Environmental Chemistry
Background:
- Jet Fuel 8 (JP-8) is a complex hydrocarbon mixture vital for military operations.
- Tissue/blood partition coefficients (PCs) are crucial for modeling chemical behavior.
- Limited data exists on the PC trends for n-alkane isomers.
Purpose of the Study:
- To determine tissue/blood partition coefficient (PC) values for nonane (C9) and its isomers.
- To investigate the relationship between PC values and octanol/water (O:W) partition coefficients.
- To support the development of a JP-8 physiologically-based pharmacokinetic (PBPK) model.
Main Methods:
- Experimentally determined blood:air and tissue:air PC values for nonane and five isomers.
- Correlated experimental PC values with published log octanol/water (O:W) PC values.
- Analyzed PC variations across different tissue types (e.g., fat, muscle).
Main Results:
- Blood:air and tissue:air PC values correlated with O:W PC values for nonane isomers.
- Highest PC values were observed for n-nonane (largest O:W), lowest for 2,2,4,4-tetramethylpentane (smallest O:W).
- Fat tissue exhibited the highest PCs, while muscle showed the lowest.
- A linear relationship was found between tissue/blood PC values for nonane isomers and n-nonane within each tissue.
Conclusions:
- Tissue/blood PC values for alkane isomers can be estimated from a subset of isomers.
- The findings support the creation of a JP-8 PBPK model.
- Understanding isomer-specific partitioning is vital for accurate toxicokinetic assessments.
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