Registration Dossier
Registration Dossier
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EC number: 625-732-3 | CAS number: 13029-09-9
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:
- 17.11. - 13.11.14
- 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:
- no
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.6
- Temp.:
- 25 °C
- pH:
- 6.2
- Conclusions:
- The partition coefficient n-octanol/water of the test item was determined to be log Pow = 4.6.
- 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. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The partition coefficient n-octanol/water of the test item was determined to be log Pow 4.6.
Reference
Preliminary visual estimation of the n-octanol solubility
A defined amount of the test item was stirred with increasing volumes of n-octanol and visually checked for any undissolved particles. The preliminary visual experiments showed that the n-octanol solubility of the test item is above 2.51 g/L. With the water solubility of 0.247 mg/L the estimated octanol solubility the logPow was calculated as logPow>3.5. Therefore the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC-method.
HPLC method
log Pow of the test item - 1st injection
c |
tRin min |
k |
log k |
logPow |
Test item |
6.78 |
5.72 |
0.76 |
4.6 |
log Pow of the test item - 2nd injection
|
tRin min |
k |
log k |
logPow |
Test item |
6.78 |
5.72 |
0.76 |
4.7 |
The partition coefficient n-octanol/water of the test item was determined to be logPow 4.6.
Description of key information
The partition coefficient n-octanol/water of the test item was determined to be 4.6 (reference 4.7 -1).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 4.6
- 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 (reference 4.7 -1). The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The partition coefficient n-octanol/water of the test item was determined to be logPow 4.6.
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