Registration Dossier
Registration Dossier
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EC number: 207-951-2 | CAS number: 502-72-7
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:
- 12 December 2015 - 21 April 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- 2008
- Deviations:
- no
- 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:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.6
- Temp.:
- 20 °C
- Remarks on result:
- other: Main peak. tr= 6.708 min., peak area = 44%. Non-buffered mobile phase.
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 3.3 - <= 5.9
- Temp.:
- 20 °C
- Remarks on result:
- other: All (other 10) peaks. Peak areas ranging from 1.8% to 14% for the other 10 peaks.
- Details on results:
- The chromatogram of the test substance solution showed one major peak (44% area) and 10 smaller peaks (1.8-14% area).
- Conclusions:
- A log Pow range of 3.3 - 5.9 was determined for the substance.
The log Pow value for the peak probably representing the constituent was determined to be 5.6. - Executive summary:
The log Pow of the substance was determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection 210 nm. Duplicate measurements were performed. Both chromatograms of the test substance solution (1 g/L) showed one major peak (44% area) and 10 smaller peaks (1.8-14% area). A log Pow range of 3.3 - 5.9 was determined for the substance. The log Pow value for the peak with area of 44%, probably representing the constituent, was determined to be 5.6.
Reference
Table: Results Partition coefficient n-octanol-water (HPLC method)
Substance |
tr,1 |
tr,2 |
mean tr |
log Pow |
Pow |
Area |
|
|
|
|
|
|
|
Formamide (t0) |
0.579 |
0.578 |
0.579 |
|
|
|
|
|
|
|
|
|
|
Benzylalcohol |
0.749 |
0.748 |
0.749 |
1.1 |
|
|
Toluene |
1.479 |
1.471 |
1.475 |
2.7 |
|
|
1,4-Dichlorobenzene |
1.922 |
1.908 |
1.915 |
3.4 |
|
|
1,2,4-Trichlorobenzene |
2.989 |
2.962 |
2.976 |
4.2 |
|
|
Triphenylamine |
8.087 |
7.967 |
8.027 |
5.7 |
|
|
4,4’-DDT |
11.833 |
11.623 |
11.728 |
6.5 |
|
|
Benzo[ghi]perylene |
18.479 |
18.261 |
18.370 |
7.2 |
|
|
|
|
|
|
|
|
|
Test item – peak 1 |
1.695 |
1.693 |
1.694 |
3.3 |
1.9E03 |
2.9 |
Test item – peak 2 |
1.831 |
1.850 |
1.841 |
3.4 |
2.8E03 |
1.8 |
Test item – peak 3 |
1.891 |
1.893 |
1.892 |
3.5 |
3.2E03 |
2.7 |
Test item – peak 4 |
1.956 |
1.960 |
1.958 |
3.6 |
3.7E03 |
2.0 |
Test item – peak 5 |
2.520 |
2.515 |
2.518 |
4.0 |
1.1E04 |
1.9 |
Test item – peak 6 |
5.493 |
5.486 |
5.490 |
5.3 |
1.9E05 |
13 |
Test item – peak 7 |
6.064 |
6.056 |
6.060 |
5.4 |
2.7E05 |
14 |
Test item – peak 8 |
6.712 |
6.704 |
6.708 |
5.6 |
3.8E05 |
44 |
Test item – peak 9 |
7.142 |
7.134 |
7.138 |
5.7 |
4.7E05 |
8.0 |
Test item – peak 10 |
7.869 |
7.864 |
7.867 |
5.8 |
6.5E05 |
2.8 |
Test item – peak 11 |
8.209 |
8.197 |
8.203 |
5.9 |
7.5E05 |
6.5 |
|
|
|
|
|
|
|
Description of key information
A log Pow range of 3.3 - 5.9 was determined for the substance.
The log Pow value for the peak probably respresenting the constituent was determined to be 5.6.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.6
- at the temperature of:
- 20 °C
Additional information
Determined using the HPLC method in a GLP study according to EC A.8, OECD 117 and OPPTS 830.7570. The mobile phase was 75/25 (v/v) methanol/water and the wavelength of detection 210 nm. Duplicate measurements were performed. Both chromatograms of the test substance solution (1 g/L) showed one major peak (44% area) and 10 smaller peaks (1.8-14% area). The log Pow values for all peaks was determined to be >=3.3 - <=5.9. The log Pow value for the peak with area of 44%, probably respresenting the constituent, was determined to be 5.6.
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