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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 2016-10-27 to 2017-03-21
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:
yes
Remarks:
The method used was the flask method even if the surface tension was unknown. This method was followed successfully and there was no impact on the results.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
yes
Remarks:
The method used was the flask method even if the surface tension was unknown. This method was followed successfully and there was no impact on the results.
GLP compliance:
yes (incl. QA statement)
Remarks:
2015-07-28
Type of method:
other: shake flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Composition of test material: 2-carboxyethyl acrylate oligomers (= homopolymers of acrylic acid + 2-carboxyethyl acrylate) and acrylic acid
- Analytical purity: >=99%
- Purity test date: 24 August 2016
- Lot/batch No.: BA5H22021
- Expiration date of the lot/batch: 24 August 2017
- Appearance: Colourless limpid liquid
- Storage: In darkness at room temperature

For the analysis, a different batch of the test item (BA5E47549) was used as reference item.
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
0.27
Temp.:
20 °C
pH:
>= 3.59 - <= 3.63
Remarks on result:
other: based on acrylic acid monomers
Key result
Type:
log Pow
Partition coefficient:
0.23
Temp.:
20 °C
pH:
>= 3.59 - <= 3.63
Remarks on result:
other: based on 2-carboxyethyl acrylate oligomers

Partition coefficient results

 

The results for the acrylic acid monomers in the two phases are given in the following table:

 

Identification

Peaks area

ATEST

Conc.

 

(mg/L)

Mean

Conc.

CD

(mg/L)

Dilution factor

Df

Concentration before

dilution

C

(mg/L)

Coctanol/ C water

Log Pow

16-217 A8 A1
Phaq dil

8.8119

5.01

5.02

20

100.3

1.842

0.265

8.8412

5.02

16-217 A8 A1
Phoc dil

6.5961

3.69

3.70

50

184.8

6.6051

3.70

16-217 A8 A2
Phaq dil

8.9825

5.11

5.11

20

102.2

1.878

0.274

8.9925

5.11

16-217 A8 A2
Phoc dil

6.8398

3.84

3.84

50

192.0

6.8465

3.84

16-217 A8 B1
Phaq dil

10.7659

6.17

6.18

20

123.6

1.871

0.272

10.8059

6.19

16-217 A8 B1
Phoc dil

8.1933

4.64

4.62

50

231.1

8.1340

4.61

16-217 A8 B2
Phaq dil

10.8407

6.21

6.21

20

124.2

1.843

0.266

10.8425

6.21

16-217 A8 B2
Phoc dil

8.0806

4.57

4.58

50

229.0

8.1007

4.59

16-217 A8 C1
Phaq dil

6.7751

3.80

3.80

20

76.0

1.837

0.264

6.7800

3.80

16-217 A8 C1
Phoc dil

5.0826

2.80

2.79

50

139.6

5.0734

2.79

16-217 A8 C2
Phaq dil

6.6470

3.72

3.72

20

74.4

1.848

0.267

6.6406

3.72

16-217 A8 C2
Phoc dil

5.0038

2.75

2.75

50

137.6

5.0110

2.75

 

Mean Log Pow

0.27

 

The results for the 2-carboxyethyl acrylate oligomers in the two phases are given in the following table:

 

Identification

Peak area

ATEST

Conc.

(mg/L)

Mean

Conc.

CD

(mg/L)

Dilution factor

Df

Concentration before

dilution

C

(mg/L)

Coctanol/ C water

Log Pow

16-217 A8 A1
Phaq dil

24.9826

24.36

24.39

20

487.7

1.680

0.225

25.0283

24.41

16-217 A8 A1
Phoc dil

16.8443

16.38

16.39

50

819.3

16.8613

16.39

16-217 A8 A2
Phaq dil

25.2629

24.64

24.67

20

493.5

1.710

0.233

25.3358

24.71

16-217 A8 A2
Phoc dil

17.3448

16.87

16.87

50

843.7

17.3571

16.88

16-217 A8 B1
Phaq dil

30.5495

29.83

29.84

20

596.8

1.711

0.233

30.5793

29.86

16-217 A8 B1
Phoc dil

21.0031

20.46

20.42

50

1021.0

20.9231

20.38

16-217 A8 B2
Phaq dil

30.7862

30.06

30.06

20

601.2

1.671

0.223

30.7830

30.06

16-217 A8 B2
Phoc dil

20.6172

20.08

20.09

50

1004.5

20.6390

20.10

16-217 A8 C1
Phaq dil

18.4922

17.99

18.03

20

360.5

1.697

0.230

18.5561

18.06

16-217 A8 C1
Phoc dil

12.6380

12.25

12.23

50

611.6

12.6042

12.22

16-217 A8 C2
Phaq dil

18.1802

17.69

17.66

20

353.2

1.696

0.229

18.1234

17.63

16-217 A8 C2
Phoc dil

12.3545

11.97

11.98

50

599.0

12.3741

11.99

 

Mean Log Pow

0.23

 

The concentration of the starting water test item solution (16-217 A8) was equal to 1.56 g/L.

The temperature during the partition phase was equal to 20.0 °C ± 1.0 °C.

The pH of the water saturated phase before the partition was equal to 6.74 at 20.0 °C.

The pH of the aqueous phase solutions after the partition were between 3.59 and 3.63 at 20.0 °C.

 


Conclusions:
The n-octanol/water partition coefficient log10 Pow of the test item was found to be in the range 0.23-0.27 based on analytical measurements performed on its main constituents (acrylic acid monomers and 2-carboxyethyl acrylate oligomers).
Executive summary:

The n-octanol/water partition coefficient log10 Pow of the test item was determined in a GLP-compliant study performed in accordance with EC A.8 method and OECD Guideline No. 107, using the shake-flask method. The n-octanol/water partition coefficient log10 Pow of the test item was found to be in the range 0.23-0.27 based on analytical measurements performed on its main constituents (acrylic acid monomers and 2-carboxyethyl acrylate oligomers).

Description of key information

The n-octanol/water partition coefficient log10 Pow of the REACH substance was determined in a GLP-compliant study performed in accordance with EC A.8 method and OECD Guideline No. 107, using the shake-flask method. The n-octanol/water partition coefficient log10 Pow of the test item was found to be in the range 0.23-0.27 based on analytical measurements performed on its main constituents (acrylic acid monomers and 2-carboxyethyl acrylate oligomers).

Key value for chemical safety assessment

Log Kow (Log Pow):
0.27
at the temperature of:
20 °C

Additional information

The n-octanol/water partition coefficient log10 Pow of the REACH substance was determined in a GLP-compliant study performed in accordance with standard methods, with minor deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.