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EC number: - | CAS number: 20126-76-5
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:
- 27 to 28 October 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)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Staatliches Gewerbeaufsichtsamt Hildesheim
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.97
- Temp.:
- 22.7 °C
- Remarks on result:
- other: No pH value was measured: mobile phase is neutral, the test item not influenced by pH.
- Conclusions:
- A log Kow of 2.97 at 22.7 °C was determined for the test substance according to OECD 117.
- Executive summary:
The partition coefficient (n-octanol / water) of test item was determined according to OECD Guideline 117 (2004) and GLP. The test was performed with a concentration of 200 mg/L test item in 60% methanol : 40% HPLC water via HPLC on a C18 column with diode array detection. The partition coefficient (n-octanol / water) log Pow was determined to be 2.97 at 22.7 °C.
Reference
Results
Preliminary test
A non-GLP preliminary test was performed, resulting in a log Pow of 2.94). The decision for the HPLC-method was made due to this result.
Results of the test item analysis
The table below contains the retention time data and calculated log k values for the test item. Two individual log Pow values were derived under consideration of the first and second calibration. Finally, a mean value was calculated from these individual log Pow values.
Retention Times, Capacity Factors and Partition Coefficients of the Test Item
[test item] |
tR [min] |
k |
log k |
log Pow |
|
1st Calibration |
2nd Calibration |
||||
10.951 |
14.0 |
1.15 |
2.97 ± 0.05 2.83 to 3.11 (95% Cl) |
2.97 ± 0.05 2.83 to 3.11 (95 % Cl) |
|
10.956 |
14.0 |
1.15 |
|||
Mean |
10.954 |
14.0 |
1.15 |
2.97 |
|
tR: Retention time
k: Capacity factor test item
Pow: Partition Coefficient (n-octanol / water)
Cl: Confidence Interval
Final results
According to OECD Test Guidelines 117 (2004) and Council Regulation (EC) No. 440/2008 Method A.8, the partition coefficient (n-octanol / water) of the test item at 22.7 °C is log Pow = 2.97.
Description of key information
Log Kow: 2.97 at 22.7 °C (OECD 117, HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.97
- at the temperature of:
- 22.7 °C
Additional information
The partition coefficient (n-octanol / water) of test item was determined according to OECD Guideline 117 (2004) and GLP. The test was performed with a concentration of 200 mg/L test item in 60% methanol : 40% HPLC water via HPLC on a C18 column with diode array detection. The partition coefficient (n-octanol / water) log Pow was determined to be 2.97 at 22.7 °C.
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