Registration Dossier
Registration Dossier
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EC number: 846-768-8 | CAS number: 1450933-43-3
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:
- 09.07.2019
- 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:
- 10.7
- Temp.:
- 25 °C
- pH:
- 6.2
- Conclusions:
- The partition coefficient n-octanol/water of the test item was determined via extrapolation to be log Pow 10.7
- 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 via extrapolation to be log Pow 10.7.
Reference
Preferably the partition coefficient of the test item is pre-estimated by using a calculation method (e.g. EPI Suite). Log Po* values in the range -2 to 4 (occasionally up to 5 and more) can be experimentally determined by the shake-flask method (OECD test guideline 107). The HPLC method covers log Po* in the range of 0 to 6. The mentioned methods are not applicable for test items, which show a log Po* below -2 or are othenruise unsuitable e.g. complex mixtures, high surface activity or insoluble in water or in n-octanol. Partition coefficients of such test items can be
estimated based on the ratio of their water solubility (according to OECD 105) and their octanol solubility (based on the principle of OECD 105).
HPLC method
log Pow of the test item - 1st injection
c |
tRin min |
k |
log k |
logPow |
Test item |
42.04 |
39.3 |
1.59 |
>6.5 |
log Pow of the test item - 2nd injection
|
tRin min |
k |
log k |
logPow |
Test item |
42.70 |
39.94 |
1.60 |
>6.5 |
The partition coefficient n-octanol/water of the test item was determined to be logPow >6.5.
Description of key information
The partition coefficient n-octanol/water of the test item was determined via extrapolation to be log Pow 10.7.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 10.7
- 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. 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 via extrapolation to be log Pow 10.7.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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