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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
September 08, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.6
Temp.:
25 °C
pH:
6

Individual results

Calculation of the partition coefficient log POWfrom the preliminary test

The program KOWWIN (part of EPI Suite) was used for calculating the log POW of the test item. The calculated value was 5.7.

Therefore according to the guidelines the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC method.

HPLC method

Table: Determination of the dead time t0

Dead time marker

tR / min

1stinjection

tR / min

2stinjection

tR / min
mean

Formamide

0.966

0.966

0.966

Table: Calibration data 1stinjection

Calibration substance

tR / min

k

log k

log POW 1)

2-Butanone

1.21

0.25

-0.60

0.3

Acetanilide

1.14

0.18

-0.75

1.0

Cinnamyl alcohol

1.26

0.31

-0.52

1.9

2,6-Dichlorobenzonitrile

1.78

0.84

-0.07

2.6

Allyl phenyl ether

2.08

1.15

0.06

2.9

Benzophenone

2.06

1.14

0.06

3.2

Cumene

3.21

2.32

0.37

3.7

Diphenyl ether

2.88

1.98

0.30

4.2

Fluoranthene

4.62

3.78

0.58

5.1

4,4’-DDT

8.67

7.98

0.90

6.5

1)OECD guideline 117, adopted 2004

Regression:        

                                                                                                        Parameters:        a = 3.0350

                                                                                                                                  b = 3.377

                                                                                                                                     r2= 0.9419

Table: log POWof the test item – 1stinjection

Test item

tR/ min

k

log k

log POW

Disperse Red 362

2.349

1.43

0.16

3.6

 

Table: Calibration data 2ndinjection

Calibration substance

tR / min

k

log k

log POW 2)

2-Butanone

1.21

0.25

-0.60

0.3

Acetanilide

1.14

0.18

-0.74

1.0

Cinnamyl alcohol

1.27

0.31

-0.51

1.9

2,6-Dichlorobenzonitrile

1.79

0.85

-0.07

2.6

Allyl phenyl ether

2.08

1.15

0.06

2.9

Benzophenone

2.07

1.14

0.06

3.2

Cumene

3.21

2.32

0.37

3.7

Diphenyl ether

2.88

1.98

0.30

4.2

Fluoranthene

4.62

3.78

0.58

5.1

4,4’-DDT

8.69

7.99

0.90

6.5

2)OECD guideline 117, adopted 2004

Regression:        

                                                                                                        Parameters:        a = 3.0247

                                                                                                                                  b = 3.397

                                                                                                                                  r2= 0.9436

Table: log POWof the test item – 2ndinjection

Test item

tR/ min

k

log k

log POW

Disperse Red 362

2.349

1.43

0.16

3.6

The partition coefficient POW of the test item was determined to be: 

log POW= 3.6

Executive summary:

The partition coefficient n-octanol/water of the test itemDisperse Red 362was determined according to the HPLC method.

It was found to be:

log POW=3.6

Description of key information

The partition coefficient n-octanol/water of the test item Disperse Red 362 was determined according to the HPLC method.

It was found to be:

log POW=3.6

Key value for chemical safety assessment

Log Kow (Log Pow):
3.6
at the temperature of:
25 °C

Additional information