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EC number: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 July 2016 to 09 September 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 6.51 - ca. 10
- Temp.:
- 40 °C
- pH:
- 6.8
- Remarks on result:
- other: range reported is 6.51 to > 10
- Details on results:
- PRELIMINARY ESTIMATE
- The Log10 Pow of the test item based on representative structures provided by the sponsor was calculated to be in the range 6.74 to 9.86.
DEFINITIVE TEST
- Typical chromatography is presented in Appendix 1 (attached).
- Retention times of the dead time and the retention times, capacity factors (k’) and Log10 Pow values for the reference standards are shown in Table 10 (attached).
- The calibration curve from which the sample results were taken is shown in Figure 3 (attached).
- The retention times, capacity factors and Log10 Pow values determined from the sample are shown in Table 11 (attached).
- Overall Log10 Pow range: 6.51 to > 10 - Conclusions:
- The partition coefficient of the test item was determined to be in the range 3.24 x 10E06 to > 1.0 x 10E10 with the associated Log10 Pow range being 6.51 to > 10. By percentage area normalisation, 97.6 % of the test item had a partition coefficient of greater than 1.0 x 10E10 (Log Pow > 10).
- Executive summary:
GUIDELINE
The determination was carried out by the HPLC method using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
RESULTS
The partition coefficient of the test item was determined to be in the range 3.24 x 10E06 to > 1.0 x 10E10 with the associated Log10 Pow range being 6.51 to > 10. By percentage area normalisation, 97.6 % of the test item had a partition coefficient of greater than 1.0 x 10E10 (Log Pow > 10).
Reference
Description of key information
The partition coefficient of the test item was determined to be in the range 3.24 x 10E06 to > 1.0 x 10E10 with the associated Log10 Pow range being 6.51 to > 10. By percentage area normalisation, 97.6 % of the test item had a partition coefficient of greater than 1.0 x 10E10 (Log Pow > 10).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10
- at the temperature of:
- 40 °C
Additional information
GUIDELINE
The determination was carried out by the HPLC method using a procedure designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
RESULTS
The partition coefficient of the test item was determined to be in the range 3.24 x 10E06 to > 1.0 x 10E10 with the associated Log10 Pow range being 6.51 to > 10. By percentage area normalisation, 97.6 % of the test item had a partition coefficient of greater than 1.0 x 10E10 (Log Pow > 10).
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