Sodium 4-morpholin-1-ylethylsulphonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 23-04-2016 to 27-04-2016

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Version / remarks:

2008

Deviations:

yes

Remarks:

The test substance is a zwitterionic compound. At any pH value the test substance dissociates. The partition coefficient can therefore not be determined of the non-dissociated compound, as would be required by the guidelines.

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Version / remarks:

27 July 1995

Deviations:

yes

Remarks:

The test substance is a zwitterionic compound. At any pH value the test substance dissociates. The partition coefficient can therefore not be determined of the non-dissociated compound, as would be required by the guidelines.

Principles of method if other than guideline:

The preliminary partition coefficient (log Pow) was estimated using a preliminary screening test. As the preliminary log Pow was outside of the range of the guidelines no main test was determined.

GLP compliance:

yes

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

ca. -2.36

Temp.:

20 °C

Remarks on result:

other: pH was not determined, as it was a preliminary screening test.

The difference between the assumed maximal concentration and the measured concentration of the substance in water corresponds to the concentration of the substance in n-octanol:

 

Measurement	Assumed maximal concentration [mg/mL]	Measured concentration in water phase [mg/mL]	Indirectly determined concentration n-octanol phase [mg/mL]
1	0.840	0.836	0.004
2	0.504	0.502	0.002

 

 The Partition Coefficient was calculated using the formula: Pow= c (n-octanol) / c (water).

 

Measurement	Pow	log Pow
1	0.0048	-2.32
2	0.0040	-2.40

 

The mean value of the log Pow was determined by averaging the two measurements as -2.36.

 

Conclusions:

The log Pow of the test item was determined to be -2.36.

Executive summary:

A study was conducted according to OECD 107 and EU Method A.8 to determine the log Pow of the test item. In a preliminary test the log Pow was determined using the solubility of the test item in n-octanol and water. The log Pow was determined to be -2.36. Since the guidelines apply to values between -2 and 4, no further tests were performed.

Description of key information

The mean value of the log Pow was determined as -2.36 (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):

-2.36

at the temperature of:

20 °C

Additional information

A study was conducted according to OECD 107 and EU Method A.8 to determine the log Pow of the test item. In a preliminary test the log Pow was determined using the solubility of the test item in n-octanol and water. The log Pow was determined to be -2.36. Since the guidelines apply to values between -2 and 4, no further tests were performed.

Additionally, the Partition Coefficient was calculated with the atom/fragment contribution method KOWWIN v1.68 as log Pow = -5.22 (reference 4.7-2).