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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
14/09/1999 - 15/03/2000
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP, 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)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-0.549
Temp.:
25 °C
Remarks on result:
other: Pow = 0.283
Details on results:
See tables below

Partition coefficient of data of dinotefuran (<0.01M)

Oct/Water ratio

Volume of Octanol (mL)

Volume of Water (mL)

Total µg dinotefuran present

µg dinotefuran recovered from Octanol

µg dinotefuran recovered from Water

Total µg dinotefuran recovered

Conc. Analysed in Octanol Phase (µg/mL)

Conc. Analysed in Water Phase (µg/mL)

Kow

Log Kow

2:1

20

10

20088

7413

13101

20514

370.64

1310.13

0.283

-0.548

1:1

20

20

20088

4584

15915

20499

229.21

795.73

0.288

-0.541

0.5:1

10

20

10044

1336

8447

9783

133.58

422.35

0.316

-0.500

 

 

 

 

 

 

 

 

Average

0.296

-0.530

 

 

 

 

 

 

 

 

Std Dev

0.02

-0.03

 

 

 

 

 

 

 

 

% RSD

6.1

-4.9

 

Partition coefficient of data of dinotefuran (<0.001M)

Oct/Water ratio

Volume of Octanol (mL)

Volume of Water (mL)

Total µg dinotefuran present

µg dinotefuran recovered from Octanol

µg dinotefuran recovered from Water

Total µg dinotefuran recovered

Conc. Analysed in Octanol Phase (µg/mL)

Conc. Analysed in Water Phase (µg/mL)

Kow

Log Kow

2:1

20

10

2009

740

1283

2023

36.98

128.29

0.288

-0.540

1:1

20

20

2009

440

1582

2022

22.01

79.11

0.278

-0.556

0.5:1

10

20

1004

113

880

994

11.32

44.02

0.257

-0.590

 

 

 

 

 

 

 

 

Average

0.275

-0.562

 

 

 

 

 

 

 

 

Std Dev

0.02

0.03

 

 

 

 

 

 

 

 

% RSD

5.8

-4.5

Conclusions:
The partition coefficient of dinotefuran is: log Pow = - 0.549 at 25°C (i.e. Pow = 0.283)
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
21/08/1995 - 29/07/1998
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP, 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)
Deviations:
no
Qualifier:
according to
Guideline:
other: EPA/FIFRA Subdivision D § 63-11
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
-0.915
Temp.:
25 °C
pH:
5
Remarks on result:
other: Pow = 0.122
Key result
Type:
log Pow
Partition coefficient:
-0.644
Temp.:
25 °C
pH:
7
Remarks on result:
other: Pow = 0.227
Type:
log Pow
Partition coefficient:
-0.76
Temp.:
25 °C
pH:
9
Remarks on result:
other: Pow = 0.174
Details on results:
See tables below.

Determination of the partition coefficient of dinotefuran between n-octanol and pH 5.0 buffer solution

Sample

A

B

C

D

E

F

G

H

I

J

K

L

n-octanol volume (mL)

15

15

15

30

30

30

60

60

60

60

60

60

Dinotefuran in n-octanol (µg/mL)

498

508

506

287

289

289

60.9

69.4

138

6.56

11.3

13.0

Total dinotefuran in n-octanol(µg)

7470

7620

7590

8610

8670

8670

3650

4160

8280

394

678

780

pH 5.0 buffer volume (mL)

15

15

15

15

15

15

15

15

15

15

15

15

Dinotefuran in pH 5.0 buffer (µg/mL)

1530

1540

1540

1450

1450

1430

1710

1720

1450

173

146

142

Total dinotefuran in pH 5.0 buffer (µg)

23000

23100

23100

21800

21800

21500

25700

25800

21800

2600

2190

2130

Total dinotefuran added (µg)

30300

30300

30300

30300

30300

30300

30300

30300

30300

3030

3030

3030

Total dinotefuran recovered (µg)

30500

30700

30700

30400

30500

30200

29400

30000

30100

2990

2870

2910

pH of aqueous phase after partition

5.01

5.01

5301

5.01

5.01

5.00

5.00

5.00

5.00

4.99

4.99

4.99

Kow

0.325

0.330

0.329

0.198

0.199

0.202

0.0356

0.0403

0.0952

0.0379

0.0744

0.0915

Log Kow

-0.487

-0.482

-0.483

-0.703

-0.700

-0.694

-1.448

-1.394

-1.021

-1.421

-1.111

-1.038

Mean Log Kow = -0.915 ± 0.373; Equivalent Kow = 0.122 Determination of the partition coefficient of dinotefuran between n-octanol and pH 7.0 buffer solution

Sample

A

B

C

D

E

F

G

H

I

J

K

L

n-octanol volume (mL)

15

15

15

30

30

30

60

60

60

60

60

60

Dinotefuran in n-octanol (µg/mL)

479

476

479

342

428

389

190

202

190

21.5

20.5

22.8

Total dinotefuran in n-octanol(µg)

7190

7140

7190

10300

12800

11700

11400

12100

11400

1290

1230

1370

pH 7.0 buffer volume (mL)

15

15

15

15

15

15

15

15

15

15

15

15

Dinotefuran in pH 7.0 buffer (µg/mL)

1490

1480

1520

1200

1220

1210

1250

1450

1250

125

119

120

Total dinotefuran in pH 7.0 buffer (µg)

22400

222000

22800

18000

18300

18200

18800

21800

18800

1880

1790

1800

Total dinotefuran added (µg)

30300

30300

30300

30300

30300

30300

30300

30300

30300

3030

3030

3030

Total dinotefuran recovered (µg)

29600

29300

30000

28300

31100

29900

30200

33900

30200

3170

3020

3170

pH of aqueous phase after partition

7.05

7.05

7.05

7.05

7.05

7.05

7.05

7.05

7.05

7.04

7.04

7.05

Kow

0.321

0.322

0.315

0.285

0.351

0.321

0.152

0.139

0.152

0.172

0.172

0.190

Log Kow

-0.493

-0.493

-0.502

-0.545

-0.455

-0.493

-0.818

-0.856

-0.818

-0.764

-0.764

-0.721

Mean Log Kow = -0.644 ± 0158; Equivalent Kow = 0.227

Determination of the partition coefficient of dinotefuran between n-octanol and pH 9.0 buffer solution

Sample

A

B

C

D

E

F

G

H

I

J

K

L

n-octanol volume (mL)

15

15

15

30

30

30

60

60

60

60

60

60

Dinotefuran in n-octanol (µg/mL)

515

516

526

307

333

289

109

166

152

15.0

15.0

12.0

Total dinotefuran in n-octanol(µg)

7730

7740

7890

9210

9990

8670

6540

9960

9120

900

900

720

pH 9.0 buffer volume (mL)

15

15

15

15

15

15

15

15

15

15

15

15

Dinotefuran in pH 9.0 buffer (µg/mL)

1450

1510

1530

1380

1320

1330

1260

1260

1490

124

123

139

Total dinotefuran in pH 9.0 buffer (µg)

21800

22700

23000

20700

19800

20000

18900

18900

22400

1860

1850

2090

Total dinotefuran added (µg)

30500

30500

30500

30500

30500

30500

30500

30500

30500

3050

3050

3050

Total dinotefuran recovered (µg)

29500

30400

30900

29900

29800

28700

25400

28900

31500

2760

2750

2810

pH of aqueous phase after partition

9.07

9.07

9.06

9.08

9.07

9.08

9.07

9.08

9.08

9.12

9.12

9.11

Kow

0.355

0.342

0.344

0.222

0.252

0.217

0.0865

0.132

0.102

0.121

0.122

0.0863

Log Kow

-0.450

-0.466

-0.464

-0.653

-0.598

-0.663

-1.063

-0.880

-0.991

-0.917

-0.914

-1.064

Mean Log Kow = -0.760 ± 0.237; Equivalent Kow = 0.174

Conclusions:
Partition coefficient of dinotefuran is as follows:
At pH 5: log Pow = - 0.915 (i.e. Pow = 0.122)
At pH 7: log Pow = - 0.644 (i.e. Pow = 0.227)
At pH 9: log Pow = - 0.760 (i.e. Pow = 0.174)

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.64
at the temperature of:
25 °C

Additional information