Registration Dossier
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EC number: 436-120-9 | CAS number: 99627-05-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.9
- Temp.:
- 25 °C
- pH:
- 7
- Details on results:
- The partition coefficient was determined based on a calibration curve using at least 6 reference compounds. The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore the study is considered to be valid. The linearity of the method was proved in the log Pow range from 0.5 to 3.4.
- Conclusions:
- The partition coefficient (n-octanol / water) was determined to be logPow 1.9 at 25 °C.
- Executive summary:
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The partition coefficient was determined based on a calibration curve using at least 6 reference compounds. The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore the study is considered to be valid. The logPow of the test iem was determined to be 1.9 at 20°C.
Reference
Capacity Factor k' and log P.* of the Test item
Compound analysis |
Time |
Capacity Factor |
Log k |
logPow |
|
[min] |
|
|
|
I "experiment (50 % acetonitrile / 50 % water as mobile phase) |
|
|
||
1 |
5.08 |
1.8 |
0.26 |
1.9 |
2 |
5.07 |
1.8 |
0.26 |
1.9 |
3 |
5.07 |
1.8 |
0.26 |
1.9 |
mean value' |
5.07 |
18 |
0.26 |
1.9 |
2** experiment (5O % acetonitrile / 50 % buffer solution as mobile phase) |
|
|||
1 |
4.55 |
2 |
0.3 |
1.8 |
2 |
4.54 |
1.9 |
0.28 |
1.8 |
3 |
4.56 |
2 |
0.3 |
1.8 |
mean value |
4.55 |
2 |
0 29 |
1.8 |
Description of key information
The partition coefficient (n-octanol / water) was determined to be logPow 1.9 at 25 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.9
- at the temperature of:
- 20 °C
Additional information
A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the HPLC method retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated (reference 4.7 -1). The partition coefficient was determined based on a calibration curve using at least 6 reference compounds. The difference between the three measurements of the reference mixture is less than the given limit of 0.1 log units. Therefore the study is considered to be valid. The logPow of the test iem was determined to be 1.9 at 20°C.
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