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EC number: 810-161-6 | CAS number: 1229654-66-3
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:
- 15 to 16 May 2013
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium für Umwelt, Energie, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 25 °C
- pH:
- 4
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 25 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.9
- Temp.:
- 25 °C
- pH:
- 9
Reference
Determination of the dead time (t0)
The mean values of the t0substance retention time for each run and pH are reported in the following table.
pH |
Run |
Retention time (min) |
4 |
Run 1 |
0.489 |
Run 2 |
0.487 |
|
7 |
Run 1 |
0.489 |
Run 2 |
0.487 |
|
9 |
Run 1 |
0.485 |
Run 2 |
0.485 |
Determination of the parameters for log POWcalculation
From the calibration runs performed at different pH values, the parameters for the log POWcalculation were calculated and resulted as follow.
pH |
Run |
a |
b |
4 |
RUN 1 |
1.4707 |
2.2097 |
RUN 2 |
1.4635 |
2.2102 |
|
7 |
RUN 1 |
1.4696 |
2.2116 |
RUN 2 |
1.4592 |
2.2186 |
|
9 |
RUN 1 |
1.4704 |
2.2191 |
RUN 2 |
1.4701 |
2.2192 |
The following table report the retention time measured for the test substance and the calculated log POW.
pH |
Run |
1. Inj. tR(min) |
2. Inj. tR(min) |
3. Inj. tR(min) |
4. Inj. tR(min) |
Mean tR(min) |
k' |
log k' |
log POW |
Log POW(mean) |
4 |
RUN 1 |
2.087 |
2.085 |
2.082 |
2.080 |
2.0835 |
3.2607 |
0.5133 |
2.60 |
2.6 |
RUN 2 |
2.078 |
2.080 |
2.072 |
2.073 |
2.0758 |
3.2623 |
0.5135 |
2.60 |
||
7 |
RUN 1 |
2.047 |
2.047 |
2.047 |
2.045 |
2.0465 |
3.1851 |
0.5031 |
2.58 |
2.6 |
RUN 2 |
2.037 |
2.038 |
2.035 |
2.035 |
2.0363 |
3.1812 |
0.5026 |
2.57 |
||
9 |
RUN 1 |
1.228 |
1.227 |
1.233 |
1.232 |
1.2300 |
1.5361 |
0.1864 |
1.88 |
1.9 |
RUN 2 |
1.250 |
1.252 |
1.250 |
1.252 |
1.2510 |
1.5794 |
0.1985 |
1.91 |
The results show that the partition coefficient of the test item is pH dependent.
Description of key information
The partition coefficient of the substance resulted pH-dependent. Three solutions were used at pH 4, 7 and 9, giving the following results (at 25 °C):
Log Pow at pH 4 = 2.6
Log Pow at pH 7 = 2.6
Log Pow at pH 9 = 1.9
(OECD guideline 117, HPLC method)
Key value for chemical safety assessment
Additional information
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