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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:
from 5th April 2016 to 9th September 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.082
Temp.:
25 °C
pH:
>= 6.5 - <= 6.63

 Results and Validity

Overview of Determinations

The POWfor each determination, the mean, standard deviation and relative standard deviation of the six determinations are presented in the following table.

Table10.1–a    POW

Step

POW

Mean POW

Step

Mean POW
±
Standard Deviation

Relative
Standard Deviation

1a

4509*

11372

12189
±
1676

15.4 %

1b

11372

2a

10105

10620

2b

11135

3a

14398

14165

3b

13933

* Replicate 1a was considered as outlier, carryover of octanol phase was suspected.

 

The log POWfor each determination, the mean, standard deviation and relative standard deviation of the six determinations at the three pHs is presented in the following table.

Table10.1–b    log POW

Step

log POW

Mean log POW
±
Standard Deviation

Range

Relative
Standard Deviation

1a

3.654*

4.082
± 0.059

4.005 – 4.158
0.154

1.6 %

1b

4.056

2a

4.005

2b

4.047

3a

4.158

3b

4.144

* Replicate 1a was considered as outlier, carryover of octanol phase was suspected.

 

log POW

The log POWof the test itemSandalmysore Corewas calculated as (log POW± standard deviation):

 4.082 ± 0.059

Validity

The six log POWs should lie in a range of ± 0.3 units.

The range was smaller than 0.2 log POWunits.

Conclusions:
SUMMARY
Title of Study: Determination of the log POW of Sandalmysore Core ac-cording to OECD 107 resp. EU A.8

Findings and Results:

The study was performed using the flask method. Partition coefficient was determined using n-octanol and water.
Three volume ratios of n-octanol:water (2:10, 4:10 and 1:10) were tested in duplicate.
The separated phases were analysed using HPLC as described in chapter 6.4.
The measurements of the phases gave the following log POW of the test item at the respective ratio:
Table 3-a Results
Ratio octanol:water Mean log POW Standard Deviation
2:10 4.056 Not applicable*
4:10 4.026 0.021
1:10 4.151 0.007
* One replicate was lost during workup

The log POW of the test item was determined as 4.082 ± 0.059 (mean value ± standard deviation)
Executive summary:

The study was performed using the flask method. Partition coefficient was determined using n-octanol and water.

Three volume ratios of n-octanol:water (2:10, 4:10 and 1:10) were tested in duplicate. The separated phases were analysed using HPLC.

The measurements of the phases gave the following log POW of the test item at the respective ratio:

Ratio octanol:water

Mean log POW

Standard Deviation

2:10

4.056

Not applicable*

4:10

4.026

0.021

1:10

4.151

0.007

* One replicate was lost during workup

The log POW of the test item was determined as 4.082 ± 0.059 (mean value ± standard deviation)

Description of key information

The study was performed using the flask method. Partition coefficient was determined using n-octanol and water.

Three volume ratios of n-octanol:water (2:10, 4:10 and 1:10) were tested in duplicate. The separated phases were analysed using HPLC.

The measurements of the phases gave the following log POW of the test item at the respective ratio:

Ratio octanol:water

Mean log POW

Standard Deviation

2:10

4.056

Not applicable*

4:10

4.026

0.021

1:10

4.151

0.007

* One replicate was lost during workup

The log POW of the test item was determined as 4.082 ± 0.059 (mean value ± standard deviation)

Key value for chemical safety assessment

Log Kow (Log Pow):
4.082
at the temperature of:
25 °C

Additional information