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Solubility in organic solvents / fat solubility

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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:
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. certificate)
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.