Registration Dossier
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EC number: 224-699-9 | CAS number: 4454-16-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: ICP-MS: Agilent 7500 Series ICP-MS with Mass lynx software (data acquisition, data handling and calculation)
- Type:
- log Pow
- Partition coefficient:
- -0.33
- pH:
- 6.2
- Remarks on result:
- other: Pow = 0.47 ± 0.08; Log (Pow) = - 0.33± 008.
- Conclusions:
- Pow = 0.47 ± 0.08
Log (Pow) = - 0.33± 008.
Reference
The value of Log (Pow) agree well (less than 0.6 units deviation between lowest and highest values of Log (Pow))
The average partition coefficient is (average of all tabulated individual determinations ± standard deviation) :
Pow = 0.47 ± 0.08
Log (Pow) = - 0.33± 008.
The test was run in duplicate with three different solvent ratios. The results obtained are summarised in the table below :
Aqueous phase: purified by ultrafiltration (Milli-Q plus, Millipore)
Volume of test solution (mL) |
solvent |
Concentration in test solutions (mg/L) |
Partition coefficient |
Partition coefficient (Log) |
Percent test item accounted for |
C |
Pow |
Log (Pow) |
Qfound/Qadded |
||
50 |
Water |
287 |
0.37 |
-0.43 |
119% |
25 |
Octanol |
107 |
|
|
|
50 |
Water |
281 |
0.37 |
-0.42 |
117% |
25 |
Octanol |
108 |
|
|
|
50 |
Water |
404 |
0.48 |
-0.32 |
104% |
50 |
Octanol |
192 |
|
|
|
50 |
Water |
405 |
0.48 |
-0.32 |
104.4% |
50 |
Octanol |
193 |
|
|
|
50 |
Water |
530 |
0.56 |
-0.26 |
97.6% |
100 |
Octanol |
294 |
|
|
|
50 |
Water |
513 |
0.57 |
-0.24 |
96.0% |
100 |
Octanol |
293 |
|
|
|
Description of key information
The partition coefficient was determined using the "Shake Flask Method" as described in EEC Method A8, and in OECD guidelines for the testing of chemicals, method 107.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.33
Additional information
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