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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Start date of the experimental work: 1 February 2018 and completion date of the experimental work: 8 May 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
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:
0.26
Temp.:
20 °C
pH:
ca. 8.6
Details on results:
Estimated log Pow: 0.5
Mean partition coefficient result (log Pow) according to shake flask method: 0.26
See below details for each testing

Estimation of partition coefficient

 Solvent  Mass of sample (mg) Solvent volume (ml)  Predicted solubility (g/L)  Log P  Analysis methid 

 Water

Octanol

 2000

300

100

20.00

60.00 

0.477  Shake Flask method 

Estimated log Pow: 0.5

Analytical Determinations:

 Flask N°

 Solvent ratio

(O:W)

 1:1 1:1  1:2  1:2  2:1  2:1 
 Volume of Octanol (ml)  50 50  50  50  100  100 
 Volume of Water (ml)  50 50  100  100  50  50 
 Amount of sample added (g)  0.099 0.099  0.099  0.099  0.197  0.197 
 pH (aqueous phase)  8.60 8.67  8.62  8.62  8.73  8.63 
 Mean Peak area (aqueous phase)  2272135 2273084  3275218  3285011  1421075  1422413 
 Concentration (g/L)  0.07172 0.07176  0.10787  0.10822  0.04105  0.04110 
 Dilution factor  10 10  10  10  10  10 
 Peak area (aqueous phase)  0.71722 0.71756  1.07872  1.08225  0.41051  0.41099 
 Mean Peak area (octanol phase)  3930780 3921619  5592571  5606519  2465487  2413064 
 Concentration (g/L)  0.13150 0.13117  0.19139  0.19189  0.07869  0.07680 
 Dilution factor 10 10  10  10  10  10  10
 Concentration (g/L) (octanol phase)  1.31497 1.31167  1.91386  1.91889  0.78690  0.76801 
 Log P  0.2633 0.2620  0.2490  0.2487  0.2826  0.2715 

Mean partition coefficient result (Log Pow): 0.26

Conclusions:
The partition coefficient (also known as distribution coefficient) is a physicochemical property of a material, which reflects the relative aqueous, and lipid solubilities and ionization behaviour. The phase distribution is independent of the concentration of dilute species.
The test is conducted in accordance with the procedure described in EU Regulation (EC) 440/2008, Annex Part A test A8 and OECD Test Guideline 107.
Mean partition coefficient result (Log Pow): 0.26 at 20°C.

Description of key information

Mean partition coefficient result (Log Pow): 0.26 at 20°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.26
at the temperature of:
20 °C

Additional information