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EC number: 948-409-1 | CAS number: 1945993-03-2
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:
- 2015-08-14 till 2015-08-20
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Chilworth Technology Limited, Phi House Southampton Science Park, Southampton SO16 7NS, United Kingdom
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.9
- Temp.:
- 20 °C
- pH:
- >= 8.45 - <= 9.14
- Details on results:
- See any other information on results incl. tables.
- Conclusions:
- The partition coefficient was determined to be 3.9.
- Executive summary:
The log Pow of the test substance was tested according to EU method A8 and in compliance with GLP. Using HPLC the log Pow was determined to be 3.9.
Reference
Analytical Determinations
Flask No. |
1 |
2 |
3 |
4 |
5 |
6 |
Solvent Ratio (O:W) |
1:1 |
1:1 |
1:2 |
1:2 |
2:1 |
2:1 |
Volume of Octanol (ml) |
40 |
40 |
25 |
25 |
50 |
50 |
Volume of water (ml) |
40 |
40 |
50 |
50 |
25 |
25 |
Amount of sample added (g) |
0.081 |
0.081 |
0.101 |
0.101 |
0.051 |
0.051 |
pH (aqueous phase) |
9.14 |
9.04 |
8.84 |
8.80
|
8.62 |
8.45 |
Mean Peak area (aqueous phase) |
4311.5 |
3905.5 |
1039.0 |
4340.5 |
3589.0 |
3607.5 |
Concentration (g/L) (aqueous phase |
0.00026 |
0.00025 |
0.00015 |
0.00027 |
0.00024 |
0.00024 |
Dilution factor |
1 |
1 |
1 |
1 |
1 |
1 |
Mean Peak area (octanol phase) |
13839079.5 |
14205245.0 |
13967916.0 |
14381694.5 |
14094067.5 |
14381601.5 |
Concentration (g/L) (Octanol phase) |
1.86593 |
1.91529 |
1.88330 |
1.93907 |
1.90030 |
1.93906
|
Dilution factor |
4 |
4 |
4 |
4 |
4 |
4 |
Log P |
3.8481 |
3.8825 |
4.0862 |
3.8632 |
3.8979 |
3.9056 |
Description of key information
The partition coefficient of the substance determined with HPLC is log 3.9 at 20°C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.9
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the test substance has been determined according to EU method A8 and in compliance with GLP using the shake flask method. Three flasks with solvent ratios 1:1; 1:2; 2:1 (O:W) were analyzed in duplicate with HPLC. The mean partition coefficient was determined to be 3.9 at 20°C.
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