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EC number: 602-927-1 | CAS number: 123312-89-0
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:
- 13 Nov 1992 to 16 Mar 1993
- 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:
- May 1981
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- September 1984
- 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:
- -0.18
- Temp.:
- 25 °C
- pH:
- 7.1
- Remarks on result:
- other: S.D.: 0.004
- Conclusions:
- The octanol-water partition coefficient (Log Pow) of the test substance at 25 °C was -0.18.
- Executive summary:
The octanol-water partition coefficient (Log Pow) of the test substance was determined based on the flask method in accordance with OECD TG 107 and in compliance with GLP. The octanol-water partition coefficient (Log Pow) of test substance at approximately 25 °C was -0.18.
Reference
Table: Partition Coefficient Results
Sample number |
1 |
2 |
3 |
4 |
5 |
6 |
weight of test substance / mg |
2.0774 |
2.0774 |
4.1548 |
4.1548 |
8.3096 |
8.3096 |
volume of octanol / mL Volume of water / mL |
10.0 20.0 |
10.0 20.0 |
20.0 20.0 |
20.0 20.0 |
40.0 20.0 |
40.0 20.0 |
concentration of the substance in the octanol phase / (mg / L) Average of 3 values |
50.574 50.411 50.445 50.477 |
50.073 49.943 50.247 50.088 |
80.604 80.479 81.087 80.723 |
81.158 81.169 81.392 81.240 |
117.590 117.614 117.139 117.448 |
114.557 114.904 115.212 114.891 |
concentration of the substance in the aqueous phase / (mg/L) Average of 3 values pH of aqueous phase |
76.398 76.830 76.620 76.616 7.11 |
76.863 76.894 76.685 76.814 7.13 |
123.742 123.595 123.178 123.505 6.91 |
122.342 122.969 123.279 122.863 7.06 |
178.525 179.255 178.484 178.755 7.09 |
178.352 178.363 178.467 178.394 7.08 |
amount of the substance in the octanol phase / mg amount of the substance in the aqueous phase / mg total recovered amount of substance / mg |
0.5048
1.5323
2.0371 |
0.5009
1.5363
4.0846 |
1.6145
2.4701
4.0846 |
1.6248
2.4573
4.0821 |
4.6979
3.5751
8.2730 |
4.5956
3.5679
8.1635 |
recovery / % |
98 |
98 |
98 |
98 |
100 |
98 |
Pow |
0.6588 |
0.6521 |
0.6536 |
0.6612 |
0.6570 |
0.6440 |
average Pow |
0.6555 |
0.6574 |
0.6505 |
|||
average Pow ± S.D. |
0.56 ± (0.006) |
|||||
log Pow |
-0.1812 |
-0.1857 |
-0.1847 |
-0.1797 |
-0.1824 |
-0.1911 |
Average log Pow |
-0.1835 |
-0.1822 |
-0.1868 |
|||
Average log Pow ± S.D. |
-0.18 ± (0.004) |
|||||
Description of key information
Log Pow = -0.18 at 25 °C, OECD 107, flask method, Rodler 1993
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.18
- at the temperature of:
- 25 °C
Additional information
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