Quaternary ammonium compounds, N,N,N'-tris(hydroxyethyl)-N,N'-dimethyl-N'-C16-18 (even numbered) and C18 unsatd., alkyltrimethylenedi-, bis(Me sulfates) (salts)

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From December 11, 2017 to December 12, 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: CIPAC MT 181: “Solubility in organic solvents”, CIPAC Handbook H, 1998

Deviations:

no

Principles of method if other than guideline:

This study is performed in order to determine the miscibility of test substance with solvent n-octanol according to CIPAC MT 181. The test substance is mixed with different amounts of n-octanol. From the total volume which is required for complete dissolution of a certain mass of the test substance, examined after at least 30 minutes visually, the solubility in n-octanol is determined.

GLP compliance:

yes (incl. QA statement)

Key result

Medium:

n-octanol

Solubility:

ca. 80 - ca. 100 g/L

Temp.:

25 °C

Test substance stable:

not determined

Details on results:

The test showed good repeatability. Solubility in n-octanol is 80 – 100 g/L.

Pre-test n-octanol

Weight test substance [g]	0.1002
Added Volume [mL]	0.5	1.0	2.0
Approx. Solubility [g/L]	> 200	100-200	50-100
Dissolution	no	no	yes

 In n-octanol dissolution of 50 – 100 g/L of the test substance was observed.

Main-test, 1 determination

Weight test item [g]	0.2009
Added Volume [mL]	2	2.5
Approx. Solubility [g/L]	> 100	80-100
Dissolution	no	yes
Temperature [°C]*	25	25.1

*Temperature was determined with a glass thermometer.

 

Main-test, 2 determination

Weight test substance [g]	0.2001
Added Volume [mL]	2	2.5
Approx. Solubility [g/L]	> 100	80-100
Dissolution	no	yes
Temperature [°C]*	25	25.1

 *Temperature was determined witha glass thermometer.

Conclusions:

Under the study conditions, n-octanol solubility of the test substance was determined to be in range of 80-100 g/L.

Executive summary:

A study was conducted to determine the n-octanol solubility of the test substance, Quaternary ammonium compounds, N,N,N'-tris(hydroxyethyl)-N,N'-dimethyl-N'-tallow alkyltrimethylenedi-, bis(Me sulfates) (salts), according to the CIPACMT 181 Guideline. In preliminary study in a 10 mL centrifuge vial, 0.1 g of the test substance was weighed. n-octanol was added to final volumes 0.5 mL, 1 mL and 2 mL. After each addition of an amount of solvent, the mixture was vigorously shaken and stored with intermittent shaking at 25.0°C for 10 minutes. In n-octanol dissolution of 50 – 100 g/L of the test substance was observed. In main test in a 10 mL graduated centrifuge vial, 0.2 g of the test substance was weighed n-octanol was added to final volumes of 2 and 2.5 mL. The mixture was vigorously shaken and stored at 25.0 – 25.1°C for 30 minutes with intermittent shaking. In n-octanol dissolution of 80 – 100 g/L of the test substance was observed. Under the study conditions, n-octanol solubility of the test substance was determined to be in range of 80-100 g/L (Brinkmann, 2018).

Description of key information

The n-octanol solubility was determined according to CIPACMT Guideline 181 (Brinkmann, 2018).

Key value for chemical safety assessment

Solubility in organic solvents at 20°C:

100 g/L

Additional information

n-octanol solubility of the test substance was determined to be in range of 80-100 g/L at 25.0 – 25.1°C.