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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:
December 01, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
equivalent or similar to
Guideline:
other: The screening test used, is similar to the preliminary test in OECD guideline no 105
Version / remarks:
Preliminary test
Deviations:
no
GLP compliance:
not specified
Specific details on test material used for the study:
Batch No.: 1439581, solvent free
Key result
Medium:
n-octanol
Solubility:
517 g/L
Temp.:
20 °C
Remarks on result:
other: pH = 5
Details on results:
At a weight ratio of 55:45 (substance:octanol) [%] a clear and homogeneous mixture is obtained. However, at a weight ratio of 60:40 [%] a clear and homogeneous mixture is not obtained, thus at this ratio the substance is not fully soluble in octanol. The pH of the solutions is close to 5 and the temperature is 20 °C.

The density of the substance is taken from test facility study Nno. 515667, “Determination of Physico-Chemical Properties of Oleyltrimethylammonium chloride (dried)” and the value is 0.900 g/cm3 at 20 ºC. 0.5362 gram of the substance has a volume of 0.5958 cm3. 0.3645 gram of octanol has a volume of 0.4418 cm3. The total volume is thus 1.0376 cm3. The octanol solubility is the weight of the dissolved substance divided by the volume of the mixture.

Octanol solubility = Weight substance (0.5362 g) / Total volume (1.0376 cm3) = 0.5168 g/cm3 mixture
Conclusions:
Under the study conditions, the octanol solubility of the solvent free form of the test substance was determined to be 517 g/L mixture.
Executive summary:

A study was conducted to determine the octanol solubility of the solvent free form of the test substance, Oleyl TMAC, by a visual screening test similar to the preliminary test in OECD Guideline 105.The test substance was mixed with 1-octanol saturated with Milli-Q water using slow-stirring conditions for at least 24 h, at different ratios in order to determine the octanol solubility. It was assumed that there are no changes in volume when mixing 1-octanol with the test substance. The density of 1–octanol, 0.825 g/mL at 20 °C was used in the calculations. At a weight ratio of 55:45 (substance:octanol) [%] a clear and homogeneous mixture is obtained. However, at a weight ratio of 60:40 [%] a clear and homogeneous mixture is not obtained, thus at this ratio the substance is not fully soluble in octanol. The pH of the solutions is close to 5 and the temperature is 20 °C. Using the density value of of 0.9 g/cm3, n-octanol solubility was determined by dividing the weight of the dissolved substance with the totoal volume of the mixture. Under the study conditions, the octanol solubility of the solvent free of the test substance was determined to be 517 g/L mixture (Wiman, 2017).

Description of key information

N-octanol solubility was determined based on a visual screening test similar to the preliminary test in OECD Guideline 105 (Wiman, 2017).

Key value for chemical safety assessment

At the temperature of:
20 °C
Solubility in organic solvents at 20°C:
517 g/L

Additional information

Value used for CSA: 517 g/L at 20°C