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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
08 August 2019 to 09 August 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
other: (EU) No 2016/266 of 7 December 2015, Method A.24.
Version / remarks:
“Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method”, Official Journal of the European Union L 54 of 01 March 2016
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
No further details specified in the study report
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 1.96 - < 4.3
Temp.:
25 °C
Remarks on result:
other: pH data not specified
Details on results:
Result of the Main test
The three calibration series (reference mix solutions) and three test item series were measured using the standard conditions. The partition coefficient Pow was determined based on a calibration curve using 8 reference substances.
The capacity factors “k” were calculated from the dead time and retention times of the reference substances. The log k data of the reference substances were plotted against their log Pow values.

The calibration curve met the acceptance criteria between log Pow 1.6 and 6.5, thereafter the first reference standards (Acetanilide with log Pow 1.0 value) was excluded from the calibration).
Conclusions:
The estimated partition coefficient of the most significantly components (based on the chromatogram) of CAS 577978-76-8 was estimated to be 1.96 ± 0.007 (approx. 44.5% of component from the detectable components of test item) and 4.30 ± 0.001 (approx. 31.4% of component from the detectable components of test item) with 95% confidence interval.
Executive summary:

The partition coefficient (log Pow) of CAS 577978 -76 -8 was carried out in with OECD test guideline 117, in compliance with GLP.

The test item is a UVCB polymer substance, from which many components were detected at 200 nm using standard chromatographic conditions (acetonitrile/ultrapure water eluent in ratio 75/25).

The partition coefficient (log Pow) of CAS 577978-76-8 (a polymer substance) was estimated using a high performance liquid chromatography method. The test item was dissolved in a suitable solvent; the range of peaks observed by UV detection correlated with log Pow values of <1.6 to >6.5 (it is plausible some large-molecule components were not seen due to column retention etc).

The estimated log Pow of the two most significant components from the test item (based on the chromatogram peaks) is 1.96 ± 0.007 (approx. 44.5% of the detectable components of test item) and 4.30 ± 0.001 (approx. 31.4% of the detectable components of test item) with 95% confidence interval.

Description of key information

The estimated partition coefficient of the most significantly components (based on the chromatogram) of CAS 577978-76-8 was estimated to be 1.96 ± 0.007 (approx. 44.5% of component from the detectable components of test item) and 4.30 ± 0.001 (approx. 31.4% of component from the detectable components of test item) with 95% confidence interval.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.96
at the temperature of:
25 °C

Additional information