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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:
Experimental start date: 26 March 2020; Experimental completion date: 28 April 2020
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to other 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 - Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identity: TKN1
Batch number: N1200213
Physical state/appearance: Colourless gas
Purity: 100%
Storage conditions: Room temperature
Expiry date: 10 August 2022
Analytical method:
gas chromatography
Key result
Type:
log Pow
Partition coefficient:
0.86
Temp.:
20 °C
pH:
>= 6.2 - <= 6.3
Details on results:
A summary of the test showed a measured log10Pow value of 0.86 (equivalent Pow = 7.2).

Acceptable mean recoveries of approximately 81, 84, 78 and 77% of TKN1 from fortified samples were achieved at the LOQ and high levels in water and n-octanol, respectively.

Determination of the Partition Coefficient of TKN1

  

Sample

A

B

C

D

E

F

 

 

 

 

 

 

 

n-octanol volume (mL)

10

10

13

13

6.5

6.5

Test substance in n-octanol (mg/L)

411.6

468.2

370.4

389.7

550.3

565.2

Total test substance in n-octanol (mg)

4120

4680

4820

5070

3580

3670

 

 

 

 

 

 

 

Aqueous volume (mL)

10

10

6.5

6.5

13

13

Test substance in aqueous phase (mg/L)

61.24

63.96

53.16

52.11

75.70

76.46

Total test substance in aqueous phase (mg)

612

640

346

339

984

994

 

 

 

 

 

 

 

Total test substance added (mg)

5720

5720

5720

5720

5720

5720

Total test substance recovered (mg)

4730

5320

5160

5400

4560

4670

 

 

 

 

 

 

 

pH of aqueous phase after partition

6.3

6.3

6.2

6.3

6.3

6.3

 

 

 

 

 

 

 

Pow

6.72

7.32

6.97

7.48

7.27

7.39

log10Pow

0.827

0.865

0.843

0.874

0.862

0.869

 

 

 

 

 

 

 

 

Mean log10Pow= 0.86 ± 0.02

Equivalent Pow= 7.2

Conclusions:
The test item, TKN1, was found to have a log10Pow value of 0.9.
Executive summary:

TKN1 was found to have a log10Powvalue of 0.9, following a procedure designed to be compatible with OECD 107 and EC Method A.8

Description of key information

TKN1 was found to have a log10Pow value of 0.9, following a procedure designed to be compatible with OECD 107 and EC Method A.8

Key value for chemical safety assessment

Log Kow (Log Pow):
0.9
at the temperature of:
20 °C

Additional information