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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:
2018-05-23 - 2018-05-25 (experimental phase)
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
under GLP
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
OECD Guideline 107 „Partition Coefficient (n-octanol/water): Shake Flask Method“ of 27. July 1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
Council Regulation (EC) No. 440/2008 of 30. May 2008, published on 31. May 2008: Method A.8 Partition coefficient
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
The test item was stored in a closed vessel at room temperature (20 ± 5°C).
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< -2
Temp.:
24 °C
pH:
>= 7.16 - <= 7.34
Remarks on result:
other: logPow = < -2 ± 0.006 (log POW ± stand. dev.)
Remarks:
The test was performed at 23.8 - 24 °C, column temperature was 25°C.
Conclusions:
The study was performed according to the OECD TG107 and EU Method A.8 (GLP) without deviations and therefore considered to be of the highest quality (reliability Klimisch 1).The validity criteria are fulfilled. The log POW of the test item 1-(2-hydroxy-3-sulphonatopropyl)pyridinium, inner salt (PPSOH) was calculated as (log POW ± stand. dev.): < -2 ± 0.006. The outcome of the study is considered reasonable.
Executive summary:

The partition coefficient of 1-(2-hydroxy-3-sulphonatopropyl)pyridinium, inner salt (PPSOH) was determined in a GLP study according to OECD 107 resp. EU Method A.8, shake-flask method. Partition coefficient was determined using n-octanol and double-distilled water.

Three volume ratios of n-octanol: water (1:2, 1:4, 1:1) 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:

 

Table Results

Ratio n-octanol: water

Mean log POW

1 : 2

< -2

1 : 4

< -2

1 : 1

< -2

 

Overall log POW (Mean ± standard deviation): < -2 ± 0.006

Range of pH values in the aqueous phases: 7.21 – 7.34

Description of key information

Partition coefficient: < -2 ± 0.006 at 23.8 - 24 °C and pH 7.21 – 7.34 (OECD 107, shake flask, GLP)

Key value for chemical safety assessment

Log Kow (Log Pow):
-2
at the temperature of:
24 °C

Additional information