Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From October 3rd, 2018 to October 26th, 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.95
Temp.:
20 °C
pH:
>= 6.65 - <= 6.75
Remarks on result:
other: SD: ±0.12

The test item stock solution was prepared in 1-octanol pre-saturated with water. The measured test item concentration in stock solution (1-octanol) was 5.4522 g/kg (4.4981 g/l). Density of 1-octanol (supplier data) is 0.825 g/l.

Table 1. Calibration solution:

Weight (mg)

Dilution (mL)

Cw(mg/mL

Peak area

Average peak area Aw

f

Average f

20.11

25-1.0-25-1.0-10

0.00321438

317126

318500

317813

0.00001011

0.00000833

25-1.0-25-1.0-10-1.0-10

0.00032144

49337

48811

49074

0.00000655

Table 2. Study solution:

Sample

 

Weight

of the sample

[mg]

Dilution

[ml]

Cp

[mg/ml]

Peak area

Average peak area

Ap

X

[g/kg]

1/w

1995.64

3

665.21

432

412

422

0.000006

2/w

1994.47

3

664.82

471

493

482

0.000007

3/w

2002.19

3

667.40

1100

1160

1130.0

0.000017

4/w

1998.18

3

666.06

1103

1054

1078.5

0.000016

5/w

1995.80

3

665.27

347

379

363

0.000006

6/w

1985.47

3

661.82

358

342

350

0.000005

stock

84.77

25-1.0-10

0.3730

221795

221964

221879.5

5.4522

1/o

82.99

25

3.320

350873

344448

347660.5

0.8726

2/o

80.72

25

3.229

334940

335978

335459.0

0.8657

3/o

82.66

25

3.306

491093

491082

491087.5

1.2375

4/o

81.85

25

3.274

526200

531165

528682.5

1.3455

5/o

84.85

25

3.394

265641

268655

267148.0

0.6558

6/o

87.21

25

3.488

258216

260687

259451.5

0.6197

Table 3. Results of measurements at 20±1.0 ºC

Vial number

1

2

3

4

5

6

Temperature, °C

20.1

20.1

20.1

Volume of added stock solution, mL

1

1

1

1

1

1

Volume of water, mL

6

6

8

8

4

4

Volume of 1-octanol, mL

5

5

3

3

7

7

Volume 1-octanol phase/volume of water phase

1:1

1:2

2:1

Test item concentration in water phase, g/l

0.000006

0.000007

0.000017

0.000016

0.000006

0.000005

Test item concentration in 1-octanol phase, g/kg

0.8726

0.8657

1.2375

1.3455

0.6558

0.6197

Test item concentration in 1-octanol phase, g/l

0.7199

0.7142

1.0209

1.1100

0.5410

0.5113

Mass of test item in water phase x 10^3, g

0.000036

0.000042

0.000136

0.000128

0.000024

0.000020

Mass of test item  in 1-octanol phase x 10^3, g

4.3194

4.2852

4.0838

4.4402

4.3283

4.0900

Mass of test item in both phases x 10^3, g

4.3194

4.2852

4.0839

4.4403

4.3283

4.0900

Added mass of test item x10^3, g

4.4981

4.4981

4.4981

4.4981

4.4981

4.4981

Table 4: Measured pH values of weater phase

Vial number

1

2

3

4

5

6

pH before test

6.34

6.34

6.34

6.34

6.34

6.34

pH after test

6.65

6.64

6.50

6.73

6.75

6.75

Table 5: Calculated values of partition coefficient 1 -octanol/water:

Vial number

1

2

3

4

5

6

Volume 1-octanol phase/volume of water phase

1:1

1:2

2:1

Pow= C1-octanol/Cwater

119982.5

102028.9

60055.2

69377.3

90182.5

102250.5

Log Pow= Log (C1-octanol/Cwater)

5.08

5.01

4.78

4.84

4.96

5.01

Average log Pow+ standard deviation

5.04 ± 0.05

4.81 ± 0.04

4.98 ± 0.04

Average log Pow+ standard deviation

4.95 ± 0.12
Conclusions:
The partition coefficient (log Pow) of the test item at 20.0 ± 1.0 ºC and at pH 6.65 - 6.75 is 4.95 ± 0.12.
Executive summary:

The partition coefficient (log Pow) of the test item was determined according to OECD 107 and EU method A.8 using the Shake flask method technique, under GLP conditions. The concentrations of the test item were determined in both phases by HPLC method, using a liquid chromatograph Shimadzu. The calculated value of the decimal logarithm of test item 1-octanol/water partition coefficient (log Pow) at 20.0 ± 1.0 °was C and at pH ranging 6.65 – 6.75 is 4.95 ± 0.12.

Description of key information

Key study. OECD 107 and EU method A.8 using the shake flash method technique. GLP study. The partition coefficient (log Pow) of the test item at 20.0 ± 1.0 ºC and at pH 6.65 - 6.75 is 4.95 ± 0.12.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.95
at the temperature of:
20 °C

Additional information