Diethylammonium chloride

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

14 Sep - 12 Oct 2015

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Remarks:

Partition coefficient of the test item was calculated based in the ratio of its water solubility and its octanol solubility (based on OECD 105).

Qualifier:

according to guideline

Guideline:

other: EU Method A.8 (Partition Coefficient - Calculation Method)

Version / remarks:

Partition coefficient of the test item was calculated based in the ratio of its water solubility and its octanol solubility (based on OECD 105).

GLP compliance:

no

Type of method:

calculation method (fragments)

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Storage conditions: ambient temperature (10 – 30 °C)

Analytical method:

titration method

Type:

log Pow

Partition coefficient:

ca. -1.3

Temp.:

20 °C

Remarks on result:

other: pH not reported

Results
Preliminary visual estimation of n-octanol solubility
Table 1 – Visual estimation results

Test item amount [mg]	Added n-octanol volume [mL]	Total n-octanol volume [mL]	Stirring time [h]	Mixture appearance
10.6	10	10	0.5	Dissolved
25.0	0		2	Dissolved
115.5	0		17	Undissolved (some crystals)

 

According to this preliminary test, the test item solubility in n-octanol is at least < 12 g/L (without correction for the purity).

Calculation of partition coefficient from the preliminary test
In the preliminary test reported in reference 4.8 -1, the water solubility was found to be c_s= 884 g/L. Thus, log P_OWwas found to be < -1.9.

Using the program KOWWIN, the calculated value was: log P_OW< -2.3

Determination of n-octanol solubility – Flask Method
Table 2 – n-Octanol Solubility Experiments

Experiment	24 h experiment	48 h experiment	72 h experiment	Blank experiment (72 h)
Test item amount [g]	2.92	2.95	2.90	--
Octanol amount [mL]	50
Stirring time at 30 °C	24	48	72	72
Measured chloride concentration [% m/m]	0.7	1.0	0.8	< 0.01

 

The n-octanol solubility of test item at 20 °C was determined to be 0.8 % m/m chloride.

Calculation of the partition coefficient from the individual solubilities
In the study reported in reference 4.8 -1, the water solubility of the test item at 20 °C was determined to be 16.5 % m/m chloride. Therefore the partition coefficient of the test item was calculated to be:

log P_OW= -1.3

 

Executive summary:

The partition coefficient (n-octanol/water) was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method described in the european Commission Regulation (EC) No. 440/2008, A.6. and in the OECD Guideline 105. According to the above described method the logPow is -1.3 at 20°C.

Description of key information

log P_OW= -1.3 at 20 °C (EU Method A.8., Calculation Method)

Key value for chemical safety assessment

Log Kow (Log Pow):

-1.3

at the temperature of:

20 °C

Additional information

The partition coefficient (n-octanol/water) was estimated based on the ratio of the individual solubilities of the test item in water and n-octanol. The solubilities were determined according to the flask method described in the european Commission Regulation (EC) No. 440/2008, A.6. and in the OECD Guideline 105.