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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:
June 2016 - December 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
Study is well documented and performed in line with standard guidelines. Study done to GLP.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identification: Resin acids and Rosin acids, maleated, esters with glycerol
CAS Number: 94581-16-5
Appearance/Physical state: yellow solid
Batch Number: 168000
Purity: 100%
Expiry: 01 March 2017
Storage conditions: Approximately 4°C, in the dark
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 6.5
Temp.:
30 °C
pH:
6.7
Remarks on result:
other:
Remarks:
testing was performed without any pH manipulation to the mobile phase
Details on results:
Preliminary Estimate: The log10 Pow was calculated to be: 5.13.

Discussion: The result from the preliminary test indicated that the HPLC method was suitable for determination of partition coefficient for this test item. As the test item contained no definitive modes of dissociation, testing was performed without any pH manipulation to the mobile phase.

Table 2. Retention time, capacity and Log10 Pow of standards and control.

Standard

Injection 1 retention time (mins)

Injection 2 retention time (mins)

Mean retention time

 Capacity factor (k') Log10 k' Log10 Pow 

Thiourea (dead time)

1.594

1.594

1.594

- - -
Benzonitrile 1.885 1.883 1.884 0.182 -0.740

1.6

Benzene

2.353

2.348

2.351

0.475

-0.323

2.1

Toluene

2.792

2.787

2.790

0.750

-1.25

2.7

Napthalene

3.202

3.197

3.200

1.01

3.29

3.6

Phenanthrene

4.993

4.981

4.987

2.13

3.28

4.5

 DDT

14.246

14.233

14.239

7.93

8.99

6.5

Table 3. Retention time, capacity and Log10 Pow of sample

Peak

Injection

Retention time (min)

Capacity Factor (k’)

Log10 Pow

Log10Pow

Mean Log10Pow

Mean area%

1

1

9.393

4.89

0.69

5.72

5.72

0.18

2

9.396

4.9

0.69

5.72

2

1

11.031

5.92

0.772

5.99

6

0.65

2

11.065

5.94

0.774

6

3

1

12.048

6.56

0.817

6.13

6.14

3.3

2

12.069

6.57

0.818

6.14

4

1

>14.246

>7.93

>0.899

>6.50

>6.50

10.65

2

13.789

7.65

0.884

6.35

5

1

>14.246

>7.93

>0.899

>6.50

>6.50

0.27

2

>14.246

>7.93

>0.899

>6.50

6

1

>14.246

>7.93

>0.899

>6.50

>6.50

1.56

2

>14.246

>7.93

>0.899

>6.50

7

1

>14.246

>7.93

>0.899

>6.50

>6.50

15.36

2

>14.246

>7.93

>0.899

>6.50

8

1

>14.246

>7.93

>0.899

>6.50

>6.50

10.11

2

>14.246

>7.93

>0.899

>6.50

9

1

>14.246

>7.93

>0.899

>6.50

>6.50

21.32

2

>14.246

>7.93

>0.899

>6.50

10

1

>14.246

>7.93

>0.899

>6.50

>6.50

7.39

2

>14.246

>7.93

>0.899

>6.50

11

1

>14.246

>7.93

>0.899

>6.50

>6.50

1.02

2

>14.246

>7.93

>0.899

>6.50

12

1

>14.246

>7.93

>0.899

>6.50

>6.50

4.31

2

>14.246

>7.93

>0.899

>6.50

13

1

>14.246

>7.93

>0.899

>6.50

>6.50

2.33

2

>14.246

>7.93

>0.899

>6.50

14

1

>14.246

>7.93

>0.899

>6.50

>6.50

7.26

2

>14.246

>7.93

>0.899

>6.50

15

1

>14.246

>7.93

>0.899

>6.50

>6.50

0.18

2

>14.246

>7.93

>0.899

>6.50

16

1

>14.246

>7.93

>0.899

>6.50

>6.50

0.65

2

>14.246

>7.93

>0.899

>6.50

Conclusions:
The partition coefficient of the test item has been determined to be in the range 5.26 x 10^5 to greater than 3.16 x 10^6, log10 Pow 5.72 to greater than 6.50. The test item with a 95.9% putiry has a log greater than 6.50.
Executive summary:

The Log10 Pow of Resin acids and Rosin acids, maleated, esters with glycerol was determined by the HPLC Method, in accordance with OECD Guideline 117. The log10 Pow of the test item was determined to be >6.5.

Description of key information

The Log10 Pow of esters of maleated rosin with glycerol was determined by the HPLC Method, in accordance with OECD Guideline 117. The log10 Pow of the test item was determined to be >6.5.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5

Additional information