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EC number: 203-662-0 | CAS number: 109-29-5
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:
- 12 December 2015 - 23 May 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:
- 7.3
- Temp.:
- 20 °C
- Remarks on result:
- other: Main peak, tr= 22.563 min., peak area = 79%. Non-buffered mobile phase.
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 4 - <= 7.2
- Temp.:
- 20 °C
- Remarks on result:
- other: All other 12 peaks. Peak areas ranging from 0.70% to 4.4% for the other 12 peaks.
- Details on results:
- The chromatogram of the test substance solution showed one major peak (79% area) and 12 smaller peaks (0.70-4.4% area).
- Conclusions:
- A log Pow range of 4.0 - 7.3 was determined for the substance.
The log Pow value for the peak respresenting the constituent was determined to be >6 with an estimated value of 7.3. - 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 (79% area) and 12 smaller peaks (0.70-4.4% area). A log Pow range of 4.0 – 7.3 was determined for the substance. The log Pow value for the peak with area of 79%, representing the constituent, was determined to be >6 with an estimated value of 7.3.
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 |
2.443 |
2.44 |
2.442 |
4.0 |
9.3E03 |
0.72 |
Test item – peak 2 |
4.188 |
4.180 |
4.184 |
4.9 |
7.3E04 |
1.7 |
Test item – peak 3 |
4.468 |
4.462 |
4.465 |
5.0 |
9.2E04 |
1.1 |
Test item – peak 4 |
5.918 |
5.905 |
5.912 |
5.4 |
2.5E05 |
2.4 |
Test item – peak 5 |
6.139 |
6.138 |
6.139 |
5.4 |
2.8E05 |
4.4 |
Test item – peak 6 |
6.573 |
6.561 |
6.567 |
5.5 |
3.5E05 |
2.0 |
Test item – peak 7 |
7.135 |
7.112 |
7.124 |
5.7 |
4.6E05 |
0.73 |
Test item – peak 8 |
7.682 |
7.649 |
7.666 |
5.8 |
5.9E05 |
1.3 |
Test item – peak 9 |
8.499 |
8.502 |
8.501 |
5.9 |
8.4E05 |
1.3 |
Test item – peak 10 |
9.27 |
9.255 |
9.263 |
6.0 |
1.1E06 |
0.70 |
Test item – peak 11 |
14.433 |
14.421 |
14.427 |
6.7 |
4.8E06 |
2.1 |
Test item – peak 12 |
21.325 |
21.276 |
21.301 |
7.2* |
1.7E07 |
3.1 |
Test item – peak 13 |
22.575 |
22.551 |
22.563 |
7.3* |
2.0E07 |
79 |
|
|
|
|
|
|
|
*Estimated value. Calculated by extrapolation of the calibration curve.
Description of key information
A log Pow range of 4.0 - 7.3 was determined for the substance.
The log Pow value for the constituent was estimated to be 7.3.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7.3
- 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 (79% area) and 12 smaller peaks (0.70-4.4% area). A log Pow range of 4.0 – 7.3 was determined for the substance. The log Pow value for the peak with area of 79%, representing the constituent, was determined to be >6 with an estimated value of 7.3.
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