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EC number: 222-884-9 | CAS number: 3648-20-2
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:
- 29 October 2018 - 09 November 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Test method according to EEC A.8 and OECD 107. GLP study.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.86
- Temp.:
- 20 °C
- pH:
- >= 6.8 - <= 6.98
- Details on results:
- The partition coefficient 1-octanol/water (log Kow) at 20.0ºC of diundecyl phthalate was found to be 1.86 ± 0.03 (pH 6.80 - 6.98).
- Conclusions:
- The experimentally obtained value of log Kow of diundecyl phthalate (DUP) at 20.0 °C is 1.86.
- Executive summary:
The partition coefficient 1-octanol/water (log Kow) of diundecyl phthalate (DUP) was determined according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 1.86 ± 0.03 (pH 6.80 - 6.98).
Reference
Table 1. Results of measurements at 20 ºC:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Temperature, °C |
19.8 |
19.9 |
19.9 |
||||
Volume of added stock solution, ml |
1 |
1 |
1 |
1 |
1 |
1 |
|
Volume of water, ml |
6 |
6 |
8 |
8 |
4 |
4 |
|
Volume of 1-octanol, ml |
5 |
5 |
3 |
3 |
7 |
7 |
|
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
||||
Test item concentration in water phase, g/l |
0.0154 |
0.0151 |
0.0207 |
0.0216 |
0.0122 |
0.0131 |
|
Test item concentration in 1-octanol phase, g/kg |
1.3562 |
1.3590 |
1.9774 |
1.9971 |
1.0458 |
1.0154 |
|
Test item concentration in 1-octanol phase, g/l |
1.1189 |
1.1212 |
1.6314 |
1.6476 |
0.8628 |
0.8377 |
|
Mass of test item in water phase ∙103, g |
0.092400 |
0.090600 |
0.165600 |
0.172800 |
0.048800 |
0.052400 |
|
Mass of test item in 1-octanol phase ∙103, g |
6.7132 |
6.7271 |
6.5254 |
6.5904 |
6.9023 |
6.7016 |
|
Mass of test item in both phases ∙103, g |
6.8056 |
6.8177 |
6.6910 |
6.7632 |
6.9511 |
6.7540 |
|
Added mass of test item ∙103, g |
6.8279 |
6.8279 |
6.8279 |
6.8279 |
6.8279 |
6.8279 |
|
Table 2. Calculated values of partition coefficient 1-octanol/water
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
|
Volume 1-octanol phase/volume of water phase |
1:1 |
1:2 |
2:1 |
||||
Pow= C1-octanol/Cwater |
72.65 |
74.25 |
78.81 |
76.28 |
70.72 |
63.95 |
|
log Pow= Log(C1-octanol/Cwater) |
1.86 |
1.87 |
1.90 |
1.88 |
1.85 |
1.81 |
|
Average log Pow+ standard deviation |
1.87 ± 0.01 |
1.89 ± 0.01 |
1.83 ± 0.03 |
||||
Average log Pow+ standard deviation |
1.86±0.03 |
||||||
Table 3. Measured pH values:
Vial number |
1 |
2 |
3 |
4 |
5 |
6 |
pH before test |
6.15 |
6.15 |
6.15 |
6.15 |
6.15 |
6.15 |
pH after test |
6.97 |
6.98 |
6.88 |
6.82 |
6.80 |
6.81 |
Description of key information
Key study. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item is 1.86.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.86
- at the temperature of:
- 20 °C
Additional information
Key study: The partition coefficient 1-octanol/water (log Kow) of diundecyl phthalate (DUP) was determined according to EEC method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in l-octanol and water was determined by a validated HPLC analytical method. The partition coefficient 1-octanol/water (log Kow) at 20.0°C of the test item was found to be 1.86 ± 0.03 (pH 6.80 - 6.98).
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