Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 23 January 2017 to 16 March 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Cross-reference
Reason / purpose:
reference to other study
Remarks:
validated analytical method used for quantification of the samples

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report Date:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
2008
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
Type:
impurity
Type:
impurity
Type:
impurity
Test material form:
solid: crystalline
Details on test material:
Appearance: white crystalline powder
Storage conditions: at room temperature protected from light

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
< 2.3
Temp.:
20 °C
pH:
7
Key result
Type:
Pow
Partition coefficient:
< 0.005
Temp.:
20 °C
pH:
7
Details on results:

-The analysed concentration of the stock solution was 2960 g/L (1:1 ratio samples) and 3150 g/L (1:2 and 2:1 samples); nominal quantity of the test item in the test samples was 5.93 (1:1 ratio samples) and 6.30 mg (1:2 and 2:1 samples). The recoveries were determined according to these values; recoveries between 92% and 111%.
- No test substance was detected in the pretreated phases from the blank test sample.
- 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

 

Ratio
n-octanol : water [v:v]

Analysed concentration

Pow

log Pow

pH

n-octanol
[g/L]

water
[g/L]

individual

mean

 

 

 

 

 

 

 

1:1

< 5.0 E-03

0.940

< 5.3 E-03

< 5.0 E-03

< -2.3

7.0

 

< 5.0 E-03

1.09

< 4.6 E-03

 

< -2.3

7.0

 

 

 

 

 

 

 

1:2

< 5.0 E-03

0.762

< 6.6 E-03

< 6.7 E-03

< -2.2

7.0

 

< 5.0 E-03

0.723

< 6.9 E-03

 

< -2.2

7.0

 

 

 

 

 

 

 

2:1

< 4.9 E-03

1.57

< 3.1 E-03

< 3.1 E-03

< -2.5

7.0

 

< 5.0 E-03

1.60

< 3.1 E-03

 

< -2.5

7.0

 

 

 

 

 

 

 

Mean

< 4.9 E-03

 

< -2.3

 

Standard deviation

1.6 E-03

 

 

 

 

 

 

Applicant's summary and conclusion

Conclusions:
The log Pow of the substance at pH 7 and 20°C was determined to be < -2.3.
Executive summary:

The log Pow 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-MS. The partition coefficient was determined at 20°C and pH 7, obtaining a Pow of < 4.9E-03 and a standard deviation of 1.6E-03. The log Pow of the substance is < -2.3.