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EC number: 911-553-0 | 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:
- 14.11.-20.12.18
- 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)
- Version / remarks:
- 13.04.2004
- 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:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: HPLC screening, pH is not determined
- Executive summary:
The study was performed using a HPLC with a C18 column. Eight reference items with different retention times and thiourea for the determination of the dead time were used to produce a calibration curve, since retention time on hydrophobic columns and POWare correlated. The reference items were chosen based on the results of the pre-test.
One vial was filled with the reference item mix and one vial with the test item solution. The vials were analysed using the HPLC with the program described below. First one injection from the solvent blank tetrahydrofuran (THF) was made. Then three injections were measured from the reference item mix, three injections from the test item and again three injections from the reference item mix.
For each reference item, the capacity factor k was calculated from the retention time of thiourea and the retention time of the respective reference item.A calibration function (log k versus log POW, linear fit) was determined using the literature values for POW of the reference items and the retention times in the six determinations.
The chromatogram of the test item gave two peaks that both eluted outside of the isocratic part of the method. Therefore, calculation of the log POWof the test item was not possible. The log POWof the test item is stated as > 6.50 (log POW of DDT, reference item with the highest log POW).
Peak
Mean Retention Time [min]
Mean Area
[mAU*min]Relative Area [%]
log POW
1
43.309
18.941
39.92
> 6.50
2
44.594
28.446
60.08
Reference
Description of key information
The key value is determined in an OECD guideline 117 study. The substance showed a longer retention time than DDT and is eluted outside of the isocratic part of the used method. Therefore, no exact log Pow could be determined. For the further assessment the log Pow of DDT is used.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 25 °C
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