Literature DB >> 12729214

Slow-stirring method for determining the n-octanol/water partition coefficient (Pow) for highly hydrophobic chemicals: performance evaluation in a ring test.

Johannes Tolls1, Karina Bodo, Elena De Felip, Roland Dujardin, Yong Hwa Kim, Lars Moeller-Jensen, Darren Mullee, Ayako Nakajima, Albrecht Paschke, Jürgen-Bernd Pawliczek, Jürgen Schneider, José-Luis Tadeo, Alessandra C Tognucci, Jim Webb, A Corneel Zwijzen.   

Abstract

The n-octanol/water partition coefficient (Pow) is one of the most important parameters employed for estimating a chemical's environmental fate and toxicity. The currently adopted test guidelines for its determination do not allow for reliable determination of log Pow greater than 5. The slow-stirring experiment, in contrast, has been demonstrated to provide reliable log Pow data up to log Pow of 8.3. To validate this method and to obtain its approval as an official Organization for Economic Cooperation and Development (Paris, France) test guideline, a ring test was performed to evaluate the accuracy and precision of the slow-stirring experiment for determination of log Pow, particularly for highly hydrophobic compounds. Up to 15 volunteer laboratories tested 1,2,3,4-tetrachlorobenzene, hexachlorobenzene. 2,2',3,3',5,5',6,6'-octachlorobiphenyl, and decachlorobiphenyl (4.5 < log Pow < 8.2). The ring-test results for the respective chemicals were 4.62, 5.50, 7.39, and 8.18. The results deviated by less than 0.1 log Pow units from the reference log Pow. In addition, the relative standard deviations of log Pow were less than 2%. Using the protocol of the ring test, log Pow of p,p'-DDT was determined to be 6.24 +/- 0.05 (mean +/- standard deviation). In combination, these results indicate that the slow-stirring method is precise and accurate and, thus, allows for reliable determination of log Pow of highly hydrophobic chemicals.

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Year:  2003        PMID: 12729214

Source DB:  PubMed          Journal:  Environ Toxicol Chem        ISSN: 0730-7268            Impact factor:   3.742


  3 in total

1.  Estimating n-octanol-water partition coefficients for neutral highly hydrophobic chemicals using measured n-butanol-water partition coefficients.

Authors:  Kaila B Hanson; Dale J Hoff; Tylor J Lahren; David R Mount; Anthony J Squillace; Lawrence P Burkhard
Journal:  Chemosphere       Date:  2018-11-24       Impact factor: 7.086

2.  Demonstration of a consensus approach for the calculation of physicochemical properties required for environmental fate assessments.

Authors:  Caroline Tebes-Stevens; Jay M Patel; Michaela Koopmans; John Olmstead; Said H Hilal; Nick Pope; Eric J Weber; Kurt Wolfe
Journal:  Chemosphere       Date:  2017-11-23       Impact factor: 7.086

3.  Estimating the Bioaccumulation Potential of Hydrophobic Ultraviolet Stabilizers Using Experimental Partitioning Properties.

Authors:  Anh T Ngoc Do; Yoonsub Kim; Yeonjeong Ha; Jung-Hwan Kwon
Journal:  Int J Environ Res Public Health       Date:  2022-03-27       Impact factor: 3.390

  3 in total

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