Quaternary ammonium compounds, C12-14-alkyltrimethyl, Me sulfates

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:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Key result

Medium:

n-octanol

Solubility:

ca. 40 - ca. 50 mg/L

Temp.:

25 °C

Test substance stable:

not determined

Details on results:

The main test showed good repeatability. Solubility in n-octanol is 40 – 50 g/L.

Pre-test n-octanol:

Weight test substance [g]	0.1004
Added Volume [mL]	0.5	1	2	3	4	5	10
Approx. Solubility [g/L]	> 200	100-200	50-100	33-50	25-33	20-25	`10-20
Dissolution	no	no	no	no	no	no	yes

In n-octanol dissolution of 10 – 20 g/L of the test substance was observed.

Main-Test, 1 determination:

Weight test substance [g]	0.1003
Added Volume [mL]	2	2.5
Approx. Solubility [g/L]	> 50	40-50
Dissolution	no	yes
Temperature [°C]*	25	25.1

Main-test, 2 determination:

Weight test substance [g]	0.1008
Added Volume [mL]	2	2.5
Approx. Solubility [g/L]	> 50	40-50
Dissolution	no	yes
Temperature [°C]*	25	25.1

Conclusions:

Under the study conditions, n-octanol solubility of the test substance was determined to be in range of 40-50 g/L.

Executive summary:

A study was conducted to determine the n-octanol solubility of the substance according to CIPAC MT 181 Guideline. In a preliminary test, a 10 mL centrifuge vial, 0.1 g of the test substance was weighed. n-octanol was added to final volumes 0.5 mL, 1.0 mL, 2.0 mL, 3.0 mL, 4.0 mL, 5.0 mL and 10.0 mL. After each addition of an amount of solvent, the mixture was vigorously shaken, treated with ultrasonic shortly and stored with intermittent shaking at 25.0°C for 10 minutes. In n-octanol dissolution of 10 – 20 g/L of the test substance was observed. In the main test, a 10 mL graduated centrifuge vial, 0.1 g of the test substance was weighed. n-octanol was added to final volumes 2.0 and 2.5 mL. The mixture was vigorously shaken, stored at 25.0 – 25.1 °C for 30 minutes with intermittent shaking. After that, the mixture was placed for 15 min in an ultrasonic bath. The main test showed good repeatability solubility in n-octanol is 40 – 50 g/L. Under the study conditions, n-octanol solubility of the test substance was determined to be in range of 40-50 g/L (Brinkmann, 2018).

Description of key information

The n-octanol solubility of the test substance was determined according to CIPAC MT 181 Guideline (Brinkmann, 2018).

Additional information

n-octanol solubility of the test substance was determined to be in range of 40 -50 g/L at 25.0 – 25.10°C.