Registration Dossier
Registration Dossier
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EC number: 620-056-5 | CAS number: 874195-61-6
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:
- 26 Mar 2010 - 16 Jun 2010
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium für Umwelt, Energie, Landwirtschaft und Verbraucherschutz, Mainzer Straße 80, D-65189 Wiesbaden
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 1.5
- Temp.:
- 23 °C
- pH:
- 4
- Type:
- log Pow
- Partition coefficient:
- 1.5
- Temp.:
- 23 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 1.6
- Temp.:
- 22 °C
- pH:
- 9
Reference
Results
Partition coefficients and standard deviations at pH 4
Experiment |
POW* |
Average POW |
SD |
1A |
33.8 |
33.6 |
0.2 |
1B |
33.5 |
||
2A |
33.5 |
33.5 |
0.1 |
2B |
33.6 |
||
3A |
33.1 |
33.2 |
0.1 |
3B |
33.3 |
||
Average Pow |
33 |
Result: log Pow = 1.5 |
|
SD |
0.2 |
||
*Rounded values
Partition coefficients and standard deviations at pH 7
Experiment |
POW* |
Average POW |
SD |
1A |
36.4 |
35.8 |
0.8 |
1B |
35.3 |
||
2A |
34.8 |
35.6 |
1.1 |
2B |
36.3 |
||
3A |
33.3 |
33.6 |
0.5 |
3B |
33.9 |
||
Average Pow |
35 |
Result: log Pow = 1.5 |
|
SD |
1.2 |
||
Partition coefficients and standard deviations at pH 9
Experiment |
POW* |
Average POW |
SD |
1A |
36.2 |
35.9 |
0.3 |
1B |
35.7 |
||
2A |
37.1 |
37.7 |
0.8 |
2B |
38.3 |
||
3A |
37.2 |
37.3 |
0.1 |
3B |
37.3 |
||
Average Pow |
37 |
Result: log Pow = 1.6 |
|
SD |
0.9 |
||
Summary of partition coefficient of AE 1887196 at room temperature (22 – 23°C°C)
|
Pow |
log POW |
pH 4 |
33 |
1.5 |
pH 7 |
35 |
1.5 |
pH 9 |
37 |
1.6 |
No significant pH dependency of the partition coefficient log Pow was observed.
Description of key information
Pure grade: 1.5 at pH 4 (20 °C), 1.5 at pH 7 (20°C), 1.6 at pH 9 (20 °C)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.5
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the test item was determined by shake-flask method according to OECD Guideline 107.
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