Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2019
Report Date:
2019

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: crystalline

Study design

Analytical method:
other: The samples were analysed using CE with indirect UV/VISdetection for determination of dibenzyldimethylammonium and potentiometric titration with silver nitrate solution for determination of chloride.

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
-1.83
Temp.:
23 °C
pH:
6.1
Remarks on result:
other: determined via dibenzyldimethylammonium
Key result
Type:
log Pow
Partition coefficient:
-1.83
Temp.:
23 °C
pH:
6.1
Remarks on result:
other: determined via chloride

Any other information on results incl. tables

Results

Analysis of the stock solutions (determined via dibenzyldimethylammonium)

Stock solution

Concentration of test item nominal

 

[mg/l]

Concentration of test item found

(duplicate analysis)

[mg/l]

Recovery

 

 

[%]

1

2590

2479

95.7

2

2569

2483

96.7

log Pow calculation (determined via dibenzyldimethylammonium)

Test

Ctest item, nominal

[mg/l]

Vwater

[mI]

Vn-octanol

[mI]

Cfound inwater

[mI/l]

Cfound in n-octanol

[mI/l]

Pow

log Pow

1a

2589.76

50

100

2434.6986

37.0182

0.0152

-1.82

1b

2589.76

50

50

2453.7872

37.6785

0.0154

-.181

1c

2589.76

100

50

2527.2984

35.4751

0.0140

-1.85

2a

2568.76

50

100

2423.8524

34.4083

0.0142

-1.85

2b

2568.76

50

50

2439.8237

37.1052

0.0152

-1.82

2c

2568.76

100

50

2515.3692

38.6544

0.0154

-1.81

 

 

 

 

 

Mean

0.0149

-1.83

 

 

 

 

 

SD

+/- 0.0006

+/- 0.03

 

 

 

 

 

log Pow

-1.83

 

Recovery (determined via dibenzyldimethylammonium)

Test

mexp

[mg]

mfound water

[mg]

mfound n-octanol

[mg]

mfound water *

[mg]

recovery

[%]

pHwater**

1a

129.488

121.735

3.702

125.437

96.9

6.0

1b

129.488

122.689

1.884

124.573

96.2

6.2

1c

258.976

252.730

1.774

254.504

98.3

5.9

2a

128.438

121.193

3.441

124.633

97.0

6.2

2b

128.438

121.991

1.855

123.846

96.4

6.2

2c

256.876

251.537

1.933

253.470

98.7

6.3

* For calculation of the recovery the values of mtound, water were used.

** The mean of all pH values of the water phases: pH = 6.1.

Remark: All results in the tables are calculated with non-rounded values.

Analysis of the stock solutions (determined via chloride)

Stock solution

Concentration of test item nominal

 

[mg/l]

Concentration of test item found

(duplicate analysis)

[mg/l]

Recovery

 

 

[%]

1

331

330

99.6

2

329

330

100.4

log Powcalculation (determined via chloride, duplicate analysis)

Test

Ctest item, nominal

[mg/l]

Vwater

[mI]

Vn-octanol

[mI]

Cfound inwater

[mI/l]

Cfound in n-octanol

[mI/l]

Pow

log Pow

1a

331.49

50

100

320

4.939

0.0154

-1.81

1b

331.49

50

50

330

4.777

0.0145

-1.84

1c

331.49

100

50

330

5.100

0.0155

-1.81

2a

328.80

50

100

320

4.602

0.0144

-1.84

2b

328.80

50

50

330

4.781

0.0145

-1.84

2c

328.80

100

50

330

4.524

0.0137

-1.86

 

 

 

 

 

Mean

0.0149

-1.83

 

 

 

 

 

SD

+/- 0.0008

+/- 0.03

 

 

 

 

 

log Pow

-1.83

 

Recovery (determined via chloride, duplicate analysis)

Test

mexp

[mg]

mfound water

[mg]

mfound n-octanol

[mg]

mfound water *

[mg]

recovery

[%]

pHwater**

1a

16.574

16.000

0.494

16.494

99.5

6.0

1b

16.574

16.500

0.239

16.739

101.0

6.2

1c

33.149

33.000

0.255

33.255

100.3

5.9

2a

16.440

16.000

0.460

16.460

100.1

6.2

2b

16.440

16.500

0.239

16.739

101.8

6.2

2c

32.880

33.000

0.226

33.226

101.1

6.3

Mean pHwater

6.1

* For calculation of the recovery the values of mround, water were used.

** The mean of all pH values of the water phases: pH = 6.1.

Remark: All results in the tables are calculated with non-rounded values.

Applicant's summary and conclusion