Registration Dossier
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EC number: 200-090-3 | CAS number: 51-34-3
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:
- 2016-02-11
- 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)
- Version / remarks:
- 2004
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- 2008
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- pKa ~ 7.75 at 25°C (according to ChemIDplus a TOXNET database, Dated: 28 Sep 2015; website: http:/chem.sis.nlm.nih.gov/chemidplus/rn/51-34-3)
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 1.31
- Temp.:
- 20 °C
- pH:
- 9
- Conclusions:
- The log Pow was determined to be 1.31 at 20°C
- Executive summary:
The test item has a partition coefficient of 1.31 at 20°C as determined by HPLC method according to Regulation EC No. 440/2008 Method A.8. and OECD Test Guideline 117 (2004).
Reference
Two individual log Pow values for the test item were determined under consideration of two runs. Finally, the calculated mean log Pow of two runs for the test item is within a range of +- 0.1 log units (absolute deviation).
The test item solution prepared was injected into the HPLC system. The retention time was determined four times.
Table 1: Retention time and log Pow (mean of two runs)
|
Mean retention time [min] |
Mean retention time of two runs [min] |
Absolute deviation [min] |
Mean log Pow |
Mean log Pow of two runs |
Absolute deviation of log Pow |
First run |
4.606 |
4.60 |
0.01 |
1.31 |
1.31 |
0.00 |
Second run |
4.597 |
1.31 |
Table 2: Calibration parameter obtained from first run
|
Slope |
|
Intercept |
Log Pow |
2.200975 |
X log k |
+ 1.283936 |
R |
0.9982 |
|
|
Table 3: Calibration parameter obtained from second run
|
Slope |
|
Intercept |
Log Pow |
2.202944 |
X log k |
+ 1.284768 |
R |
0.9982 |
|
|
Description of key information
The log Pow was determined to be 1.31 at 20°C according to OECD 117 (HPLC method).
The test item has a partition coefficient of 1.3 as determined in the supporting study which was considered to be insufficient for assessment.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.31
- at the temperature of:
- 20 °C
Additional information
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