Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
12 Oct 2017 - 30 Nov 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report Date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2016
Deviations:
no
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Version / remarks:
1996
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Details on test material:
- Appearance: White powder
- Storage condition of test material: At room temperature

Study design

Analytical method:
other: UPLC-UV

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
-0.5
Temp.:
20 °C
pH:
7
Remarks on result:
other: anionic part of the test item
Key result
Type:
log Pow
Partition coefficient:
0.2
Temp.:
20 °C
pH:
7
Remarks on result:
other: cationic part of the test item
Details on results:
Anionic part of the test item:
- Concentration analysed in the stock solution was 4.99 g/L.
- Nominal quantity of the substance in each test sample: 10.0 mg.
- Recovery (range) for the test samples: 92% - 104%.
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)
Cationic part of the test item:
- Concentration analysed in the stock solution was 4.87 g/L.
- Nominal quantity of the substance in each test sample: 9.73 mg.
- Recovery (range) for the test samples: 95% - 103%.
- The log Pow values were within the criterion range of ± 0.3 log units (see table below)

Any other information on results incl. tables

Table: Shake-flask results (anionic part of the test item):

Ratio
n-octanol : buffer pH7 [v:v]

Analyzed test item concentration

Pow

log Pow

pH

n-octanol
[g/L]

buffer pH7
[g/L]

individual

mean

1:1

0.354

1.32

2.7 x 10-1

2.7 x 10-1

-0.6

6.8

 

0.372

1.32

2.8 x 10-1

 

-0.6

6.8

1:2

0.310

1.06

2.9 x 10-1

2.9 x 10-1

-0.5

6.9

 

0.320

1.14

2.8 x 10-1

 

-0.5

6.9

2:1

0.458

1.56

2.9 x 10-1

3.0 x 10-1

-0.5

6.7

 

0.442

1.40

3.2 x 10-1

 

-0.5

6.7

Mean

2.9 x 10-1

 

-0.5

 

Standard deviation

1.6 x 10-2

 

 

 

Table: Shake-flask results (cationic part of the test item):

Ratio
n-octanol : buffer pH7 [v:v]

Analyzed test item concentration

Pow

log Pow

pH

n-octanol
[g/L]

buffer pH7
[g/L]

individual

mean

1:1

0.951

0.666

1.4

1.4

0.2

6.8

 

0.955

0.671

1.4

 

0.2

6.8

1:2

1.06

0.662

1.6

1.6

0.2

6.9

 

1.08

0.714

1.5

 

0.2

6.9

2:1

0.892

0.632

1.4

1.4

0.1

6.7

 

0.861

0.587

1.5

 

0.2

6.7

Mean

1.5

 

0.2

 

Standard deviation

7.3 x 10-2

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow at pH 7 and 20°C was determined to be -0.5 for the anionic part and 0.2 for the cationic part of the substance.
Executive summary:

The log Pow of the anionic and cationic part of the substance was determined using the shake-flask method in a GLP study according to EC A.8, OECD 107 and OPPTS 830.7550. Quantitative analysis was performed by UPLC-UV. The log Pow at pH 7 and 20°C was determined to be -0.5 for the anionic part and 0.2 for the cationic part of the substance.