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EC number: 811-616-1 | CAS number: 1563063-07-9
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:
- 21 Sep 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 Hildeshelm
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 1.55 - <= 3.07
- Temp.:
- 21.9 °C
- Remarks on result:
- other: No pH value was measured for the moblie phase, because it is neutral.
- Conclusions:
- A range of log Pow from 1.55 to 3.07 (at 21.9 °C) was determined for the test substance according to EU Method A.8.
Reference
Results of Test Item Analysis
The log Pow of the test item was determined for four signals showed in HPLC chromatogram. For each signal, 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
Signal 1 (lowest retention time) |
tR(min) |
k |
log k |
log Pow |
|
1stcalibration |
2ndcalibration |
||||
2.579 |
2.93 |
0.467 |
1.56 +/- 0.05 1.43 to 1.68 (95 % CI) |
1.55 +/- 0.05 1.42 to 1.68 (95 % CI) |
|
2.578 |
2.93 |
0.467 |
|||
Mean |
2.579 |
2.93 |
0.467 |
1.55 |
|
Signal 2 (dominant peak) |
tR(min) |
k |
log k |
log Pow |
|
1stcalibration |
2ndcalibration |
||||
5.869 |
7.95 |
0.900 |
2.38 +/- 0.05 2.27 to 2.50 (95 % CI) |
2.38 +/- 0.05 2.26 to 2.50 (95 % CI) |
|
5.862 |
7.94 |
0.900 |
|||
Mean |
5.866 |
7.95 |
0.900 |
2.38 |
|
Signal 3 (dominant peak) |
tR(min) |
k |
log k |
log Pow |
|
1stcalibration |
2ndcalibration |
||||
8.542 |
12.0 |
1.08 |
2.73 +/- 0.05 2.60 to 2.86 (95 % CI) |
2.73 +/- 0.05 2.95 to 2.86 (95 % CI) |
|
8.510 |
12.0 |
1.08 |
|||
Mean |
8.517 |
12.0 |
1.08 |
2.73 |
|
Signal 4 (highest retention time) |
tR(min) |
k |
log k |
log Pow |
|
1stcalibration |
2ndcalibration |
||||
12.469 |
18.0 |
1.26 |
3.07 +/- 0.06 2.92 to 3.23 (95 % CI) |
3.07 +/- 0.06 2.92 to 3.23 (95 % CI) |
|
12.435 |
18.0 |
1.26 |
|||
Mean |
12.452 |
18.0 |
1.26 |
3.07 |
|
tR: Retention time
k: Capacity factor test item
Pow: Partition Coefficient (n-octanol / water)
CI : Confidence Interval
Conclusions
Four signals for the test item were detected in HPLC chromatogram. For each signal, two individual log Pow values were derived under consideration of the first and second calibration. Finally, a mean value for each signals was calculated from these individual log Pow values:
Signal 1: log Pow = 1.55
Signal 2: log Pow = 2.38
Signal 3: log Pow = 2.73
Signal 4: log Pow = 3.07
Description of key information
log Pow: 1.55 to 3.07 at 21.9 °C (EU Method A.8., HPLC method)
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.07
- at the temperature of:
- 21.9 °C
Additional information
A range of log Pow from 1.55 to 3.07 (at 21.9 °C) was determined for the test substance according to EU Method A.8.
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