Registration Dossier
Registration Dossier
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EC number: 200-386-2 | CAS number: 58-56-0
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:
- 04 December 2014-09 April 2015
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- (1995)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Version / remarks:
- (1996)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: UPLC
- Type:
- Pow
- Partition coefficient:
- 22
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Mean value (n=6). Standard deviation: 8.3E-03.
- Type:
- log Pow
- Partition coefficient:
- -0.7
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Mean value (n=6).
- Details on results:
- - The analysed concentration of the stock solution was 0.129 g/L.
- The nominal quantity in each test sample was 0.258 mg
- The analysed quantity in each test sample ranged from 0.242 mg to 0.253 mg
- The recovery ranged from 94% to 98%
The log Pow values were within the criterion range of ± 0.3 log units. - Conclusions:
- In a GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550 using the shake-flask method, the log Pow of the substance at pH 7 and 20°C has been determined as -0.7 (Pow= 22).
Reference
Table: Shake-flask method results
Ratio |
Analysed concentration [g/L] |
Pow |
log Pow |
pH |
||
n-octanol |
water |
individual |
mean |
|||
|
|
|
|
|
|
|
1:1 |
0.00737 |
0.0340 |
22 |
22 |
-0.7 |
7.1 |
|
0.00763 |
0.0334 |
23 |
|
-0.6 |
7.1 |
|
|
|
|
|
|
|
1:2 |
0.00616 |
0.0271 |
23 |
22 |
-0.6 |
7.1 |
|
0.00604 |
0.0283 |
21 |
|
-0.7 |
7.1 |
|
|
|
|
|
|
|
2:1 |
0.00936 |
0.0441 |
21 |
21 |
-0.7 |
7.1 |
|
0.00928 |
0.0446 |
21 |
|
-0.7 |
7.1 |
|
|
|
|
|
|
|
No test substance was detected in the pretreated phases from the blank test sample.
Description of key information
In a GLP-compliant study in accordance with EC A.8, OECD 107 and EPA OPPTS 830.7550 using the shake-flask method, the log Pow of the substance at pH 7 and 20°C has been determined as -0.7 (Pow= 22).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.7
- at the temperature of:
- 20 °C
Additional information
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