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EC number: 239-799-8 | CAS number: 15707-23-0
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:
- from 2017-04-10 to 2017-05-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- 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:
- 1.42
- Temp.:
- 25 °C
- pH:
- 13.4
- Conclusions:
- The log Pow value was found to be 1.42 at a pH mean value of 13.4.
- Executive summary:
The determination of the partition coefficient (n-octanol/water) of the test item was performed according to OECD Guidelines for the Testing of Chemicals, No. 107 (adopted 1995), Partition Coefficient (1-Octanol/Water): Shake Flask Method. In a preliminary test, the shake flask method was applied. The log Pow value obtained was found to be 1.4. Since the test item is a free base, the pH was adjusted to at least 1 unit above the pKb to perform the test in its non-ionized form. The log Pow value was found to be 1.42 at a pH mean value of 13.4.
Reference
Table 1. Shake Flask Test - Results obtained for log Pow
Organic/ Aqueous Volume Ratio |
Determined Test Item Concentration in n-Octanol Phase [mg/L] |
Determined Test Item Concentration in Aqueous Phase [mg/L] |
pH of Aqueous Phase |
Log Pow |
mean value Log Pow |
Standard Deviation |
1:1 1:1 1:2 1:2 2:1 2:1 |
947 947 965 973 917 931 |
36.4 36.4 36.7 37.1 35.1 36.0 |
13.49
13.47
13.37 |
1.415 1.415 1.420 1.419 1.417 1.413 |
1.42 |
± 0.00 |
Description of key information
The log Pow value was found to be 1.42 at a pH mean value of 13.4.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.42
- at the temperature of:
- 25 °C
Additional information
The determination of the partition coefficient (n-octanol/water) of the test item was performed according to OECD Guidelines for the Testing of Chemicals, No. 107 (adopted 1995), Partition Coefficient (1-Octanol/Water): Shake Flask Method. In a preliminary test, the shake flask method was applied. The log Pow value obtained was found to be 1.4. Since the test item is a free base, the pH was adjusted to at least 1 unit above the pKb to perform the test in its non-ionized form. The log Pow value was found to be 1.42 at a pH mean value of 13.4.
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