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EC number: 228-491-9 | CAS number: 6281-42-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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)
- Deviations:
- yes
- Remarks:
- The saturated solvents were prepared on 30 May 2016 therefore the start date of the experiments is 30 May 2016 instead of 31 May 2016. The deviation has no impact on the Study.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 22 september 2015
- Type of method:
- other: shake flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 0.017
- Temp.:
- 20 °C
- pH:
- >= 10.12 - <= 10.19
- Details on results:
- The partition coefficient (Pow) of AEEU in a n-octanol - water two phase system was determined to be 0.017 using the shake flask method.
The log Pow is -1.78. - Conclusions:
- The partition coefficient (Pow) of AEEU in a n-octanol - water was determined to be 0.017 using the shake flask method.
The log Pow is -1.78. - Executive summary:
The partition coefficient of the test item was determined using the shake-flask method (OECD 107) and under GLP.
Based on the results, the partition coefficient (Pow) of AEEU in an n-octanol - water two phase system was determined to be 0.017. The log Pow is -1.78.
Reference
Measured concentrations in both phases of the test vessels are provided in Table 1. The calculated Pow values are summarised in Table 2.
Table 1: Determined concentrations
Ratio of solvents (n-Octanol:Water)
|
Determined concentration in n-octanol phase (µg/ml)
|
Determined concentration of in water phase (µg/ml)
|
pH
|
||
1:2 |
11.7 |
661.3 |
10.18 |
||
11.3 |
678.4 |
10.15 |
|||
11.1 |
676.7 |
10.19 |
|||
Mean (C) |
11.4 |
672.2 |
10.17 |
||
RSD% |
2.5 |
1.4 |
- |
||
Meas. test item (M) |
56.8 µg |
6722 µg |
- |
||
Mean Total quantity of test item (Mo+Mw) in the two-phase system: |
6.78 mg |
||||
Recovery: |
97% |
||||
1:1 |
15.3 |
900.8 |
10.14 |
||
15.5 |
882.2 |
10.17 |
|||
14.3 |
883.5 |
10.17 |
|||
Mean(C) |
15.0 |
888.8 |
10.16 |
||
RSD% |
4.1 |
1.2 |
- |
||
Meas.test item (M) |
112.8 µg |
6666.3 µg |
- |
||
Mean Total quantity of test item (Mo+Mw) in the two-phase system: |
6.78mg |
||||
Recovery: |
97% |
||||
2:1 |
21.7 |
1282.0 |
10.18 |
||
20.7 |
1285.5 |
10.14 |
|||
20.6 |
1289.8 |
10.12 |
|||
Mean(C) |
21.0 |
1285.8 |
10.15 |
||
RSD% |
2.8 |
0.3 |
- |
||
Meas.test item(M) |
209.8 µg |
6429 µg |
- |
||
Mean Total quantity of test item (Mo+Mw) in the two-phase system: |
6.64 mg |
||||
Recovery: |
95% |
||||
Table 2: Calculated partition coefficient (Pow) and logPow
Ratio of solvents (n-Octanol: Water) |
Partition coefficient |
Log Partition coefficient |
Pow |
Log Pow |
|
1:2 |
0.017 |
-1.77 |
1:1 |
0.017 |
-1.77 |
2:1 |
0.016 |
-1.79 |
mean |
0.017 |
-1.78 |
Description of key information
The partition coefficient of the test item was determined using the shake-flask method (OECD 107) and under GLP.
The partition coefficient (Pow) of AEEU in an n-octanol - water two phase system was determined to be 0.017. The log Pow is -1.78.
Key value for chemical safety assessment
Additional information
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