Registration Dossier
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EC number: 202-956-6 | CAS number: 101-58-6
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:
- April16, 2020 - April 17, 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- GLP compliance:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- pH:
- >= 4 - <= 5
- Conclusions:
- The log pow of bis(4-(1,1,3,3-tetramethylbutyl)phenyl)ether was determined using the HPLC method according to OECD 117.
The retention time of the test item lay over the retention time of the reference item DDT as substance with the highest log Pow and thus outside of the calibrated range, a log Pow could not be calculated.
Therefore, the log POW of bis(4-(1,1,3,3-tetramethylbutyl)phenyl)ether is stated as > 6.5 at the temperature of 25.0 ± 0.5°C at a pH of 4-5 (pH paper).
Reference
The values for log k and log POW of the reference items are presented in the following table:
Table: log k and log POWof Reference Items
Compound |
log k |
log POW |
2-Butanone |
-0.4823 |
0.30 |
Acetophenone |
-0.2272 |
1.70 |
Naphthalene |
0.2812 |
3.60 |
Diphenyl ether |
0.3876 |
4.20 |
Phenanthrene |
0.5259 |
4.50 |
Fluoranthene |
0.6483 |
5.10 |
Triphenylamine |
0.8523 |
5.70 |
4,4’-DDT |
0.9749 |
6.50 |
Graph see attachments
Dead time is 1.282 ± 0.002 minutes, with RSD (relative standard deviation) 0.14%.
The RSD of the retention times of the reference items lay all below 0.12 %.
Equation of the regression:
log k = 0.2447 * log POW– 0.5965
with a coefficient of determination r2= 0.9947
Description of key information
The log pow of bis(4-(1,1,3,3-tetramethylbutyl)phenyl)ether was determined using the HPLC method according to OECD 117. The partitioning coefficient of the test item was stated as > 6.5 at 25 ± 0.5 °C at a pH of 4 -5.
Key value for chemical safety assessment
Additional information
The retention time of the test item lay over the retention time of the reference item DDT as substance with the highest log Pow and thus outside of the calibrated range, a log Pow could not be calculated. Therefore, the log POW of bis(4-(1,1,3,3-tetramethylbutyl)phenyl)ether is stated as > 6.5 at the temperature of 25.0 ± 0.5°C.
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