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EC number: 824-962-3 | CAS number: 14488-58-5
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:
- 05 December 2018 - 15 January 2019
- 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)
- Version / remarks:
- July 27 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- March 04 2016
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No. of test material: 13502
- Expiration date of the lot/batch: 19 December 2020
- Purity: 93%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under test conditions: Stable - Analytical method:
- other: UPLC-MS
- Key result
- Type:
- Pow
- Partition coefficient:
- 0.003
- Temp.:
- 20 °C
- pH:
- 7
- Key result
- Type:
- log Pow
- Partition coefficient:
- -2.6
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- The Pow and log Pow values of the test item were determined to be 0.0026 and -2.6, respectively.
- Executive summary:
Ciric (2019) is a GLP-compliant study following OECD guideline 107 (Partition Coefficient (n-octanol / water, shake flask method)). The chosen method is suitable for the test item and a preliminary study was conducted prior to the main test. The study is therefore considered to be reliable without restrictions (Klimisch 1). The Pow and log Pow values of the test item were determined to be 0.0026 and -2.6, respectively.
Reference
Table 1- Results from shake flask method
Ratio |
Analysed concentration |
Pow |
log Pow |
pH |
||
n-octanol |
Buffer pH 7 |
individual |
mean |
|||
1:1 |
0.000123
|
0.0442
|
2.8 x 10-3
|
2.7 x 10-3
|
-2.6 |
7.0 |
0.000118 |
0.0454 |
2.6 x 10-3 |
||||
1:2 |
0.0000885
|
0.0340
|
2.6 x 10-3
|
2.7 x 10-3 |
-2.6 |
7.0 |
0.0000944 |
0.0345 |
2.7 x 10-3 |
||||
2.1 |
0.000166
|
0.0683
|
2.4 x 10-3
|
2.5 x 10-3 |
-2.6 |
7.0 |
0.000163 |
0.0657 |
2.5 x 10-3 |
||||
Mean |
2.6 x 10-3 |
- |
-2.6 |
- |
||
Standard deviation |
1.4 x 10-4 |
- |
- |
- |
||
Description of key information
The Pow and log Pow values of the test item were determined to be 0.0026 and -2.6, respectively.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.6
- at the temperature of:
- 20 °C
Additional information
Ciric (2019) is a GLP-compliant study following OECD guideline 107 (Partition Coefficient (n-octanol / water, shake flask method)). The chosen method is suitable for the test item and a preliminary study was conducted prior to the main test. The study is therefore considered to be reliable without restrictions (Klimisch 1). The Pow and log Pow values of the test item were determined to be 0.0026 and -2.6, respectively.
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