Registration Dossier
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EC number: 203-273-6 | CAS number: 105-13-5
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:
- 2016-03-14 to 2016-03-22
- 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)
- Version / remarks:
- 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Noack Laboratorien GmbH Käthe-Paulus-Str. 1 31157 Sarstedt Germany
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.05
- Temp.:
- 24 °C
- pH:
- 7
- Conclusions:
- The log Pow of the test item was determined to be 1.05 (24.0 °C).
- Executive summary:
The study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. Analysis of was carried out by HPLC-DAD with a C18 analytical column. The test item and the reference items were diluted with methanol and HPLC water to mobile phase ratio and injected into the HPLC system. The partition coefficient log Pow of the test item was determined to be log Pow = 1.05 at 24 °C.
Reference
Calibration Data of the Reference Items
Reference item |
log Pow |
1st Calibration |
2nd Calibration |
||||
|
|
t [min] |
k |
Log k |
t [min] |
k |
Log k |
2-Butanone |
0.3 |
2.166 |
2.66 |
0.424 |
2.179 |
2.68 |
0.428 |
4-Acetylpyridine |
0.5 |
2.855 |
3.82 |
0.582 |
2.872 |
3.85 |
0.585 |
Aniline |
0.9 |
3.455 |
4.83 |
0.684 |
3.456 |
4.83 |
0.684 |
Acetanilide |
1.0 |
4.387 |
6.41 |
0.807 |
4.415 |
6.45 |
0.810 |
Benzonitrile |
1.6 |
9.309 |
14.7 |
1.17 |
9.381 |
14.8 |
1.17 |
Acetophenone |
1.7 |
11.198 |
17.9 |
1.25 |
11.290 |
18.1 |
1.26 |
Nitrobenzene |
1.9 |
15.685 |
25.5 |
1.41 |
15.762 |
25.6 |
1.41 |
Slope, Y-intercept and Correlation Coefficient of the Regression Line
|
1st Calibration |
2nd Calibration |
slope |
1.642 |
1.641 |
Y-intercept |
-0.3552 |
-0.3589 |
r2 |
0.9848 |
0.9842 |
r |
0.9924 |
0.9921 |
Retention Times, Capacity Factors and Partition Coefficients of the Test Item
|
t [min] |
k |
Log k |
Log Pow |
|
test item |
1st Calibration |
2nd Calibration |
|||
4,855 |
7,20 |
0,857 |
1.05 ± 0.03 |
1.05 ±0.03 |
|
4,866 |
7,21 |
0,858 |
|||
mean |
4,861 |
7,21 |
0,858 |
||
Description of key information
The log Pow of the test item was determined to be 1.05 (24.0 °C).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.05
- at the temperature of:
- 24 °C
Additional information
The study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method. Analysis of was carried out by HPLC-DAD with a C18 analytical column. The test item and the reference items were diluted with methanol and HPLC water to mobile phase ratio and injected into the HPLC system. The partition coefficient log Pow of the test item was determined to be log Pow = 1.05 at 24 °C.
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