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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
24 November 2016 to 24 April 2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Principles of method if other than guideline:
The method is in principle only applicable to substances with a logPow between -2 and 4. For this substance no other methods were suitable and a pre-test has indicated that it would be expected that the logPow would be < 0
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< -4.3
Temp.:
22.3 °C
pH:
6.9
Remarks on result:
other: no substance found in the organic phase (LOQ 0.408 mg/L used for calculations)
Details on results:
The stock solution was prepared in n-octanol saturated water in place of water saturated n-octanol. This was due to the insolubility of the test item in the organic phase.
the pH of the aqueous phase was: 6.9
pH of n-octanol saturated water: 7.8
pH of stock solution: 7

Pre-test results: Approximate solubility in n-octanol: <10 mg/L ; Approximate solubility in water: >2.5E03 mg/L; Approximate Pow : <4E03; LogPow : <-2.4

see attachment

Conclusions:
The logPow is <-4.3
Executive summary:

In a shake flask test the logPow of the substance was assessed to be <-4.3. Despite the limitations of the method used, it is expected to be the most appropriate method available. The substance was insoluble in octanol.

Description of key information

In a shake flask test the logPow of the substance was assessed to be <-4.3. Despite the limitations of the method used, it is expected to be the most appropriate method available. The substance was insoluble in octanol.

For risk assessment the logKow will be set at -1 (the minimum value in EUSES).

Key value for chemical safety assessment

Log Kow (Log Pow):
-1

Additional information

The substance is known to bind to cellulose via van der Waals forces, therefore adsorption to organic material cannot be excluded.