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EC number: 941-628-3 | CAS number: 1263184-87-7
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:
- 22 Dec 2014 to 24 Dec 2014
- 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)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: Council Regulation (EC) No 440/2008, Official Journal of the European Union, L 142, p. 1 - 739
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 20 °C
- pH:
- > 6.19 - < 6.74
- Type:
- Pow
- Partition coefficient:
- 370
- Temp.:
- 20 °C
- pH:
- > 6.19 - < 6.74
- Remarks on result:
- other: SD: ± 1.3
- Conclusions:
- The 1-octanol/water partition coefficient (Pow) of the test item has been determined using the shake-flask method to be: Pow =370 (SD: ± 1.3) and logPow = 2.6 at 20 °C.
- Executive summary:
The determination of 1-octanol/water partition coefficient (Pow) for the test itemwas performed in accordance with OECD 107 under GLP conditions. The Pow has been determined using the shake-flask method. The Pow of the test item has been determined to be: Pow = 370 (SD: ± 1.3) and log Pow = 2.6 at 20 °C.
Reference
Summary of results:
Test Mixture |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of test item [mg] |
47.6 |
47.4 |
90.0 |
89.0 |
26.0 |
25.1 |
Corrected for purity [mg] |
45.0296 |
44.8404 |
85.1400 |
84.1940 |
24.5960 |
23.7446 |
Volume of octanol [ml] |
20.0 |
20.0 |
40.0 |
40.0 |
10.0 |
10.0 |
Volume of water [ml] |
20.0 |
20.0 |
20.0 |
20.0 |
20.0 |
20.0 |
Test item in the Average |
2245.568 2245.544 |
2237.919 2238.436 |
2146.864 2146.245 |
2110.009 2108.234 |
2437.205 2437.077 |
2388.624 2387.354 |
Test item in the Average |
6.162 6.168 |
6.127 6.114 |
5.903 5.894 |
5.783 5.792 |
6.659 6.648 |
6.532 6.512 |
pH of aqueous phase |
6.19 |
6.59 |
6.69 |
6.74 |
6.49 |
6.51 |
Test item amount in |
44.9109 |
44.7687 |
85.8498 |
84.3294 |
24.3708 |
23.8735 |
Test item amount in |
0.1234 |
0.1223 |
0.1179 |
0.1158 |
0.1330 |
0.1302 |
Test item amount in the |
45.0343 |
44.8910 |
85.9677 |
84.4452 |
24.5038 |
24.0037 |
Recovery [%] |
100.0 |
100.1 |
101.0 |
100.3 |
99.6 |
101.1 |
Pow |
364.064 |
366.116 |
364.141 |
363.991 |
366.588 |
366.608 |
Average Pow |
365.1 |
364.1 |
366.6 |
|||
Average Pow ± S.D. |
370 ± 1.3 |
|||||
Log Pow |
2.56 |
2.56 |
2.56 |
2.56 |
2.56 |
2.56 |
average logarithm of Pow |
2.6 |
|||||
Description of key information
LogPow = 2.6 at 20 °C, flask method, OECD 107, Halarnakar 2015.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.6
- at the temperature of:
- 20 °C
Additional information
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