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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 19 December 2018 to 22 February 2019
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
other: OECD Guideline 105: Water solubility
Deviations:
not specified
Qualifier:
according to
Guideline:
other: EU Method A.6 Water Solubility
Deviations:
not specified
GLP compliance:
no
Remarks:
The study was conducted in a facility which operates in accordance with Good Laboratory Practice principles; however no claim of GLP compliance was intended nor is made for this study
Key result
Medium:
n-octanol
Solubility:
ca. 16.2 g/L
Temp.:
20 °C
Test substance stable:
not determined

Results

Preliminary Test (MT 181)

The recorded observations for the contents of the cylinder after each addition of n-octanol are shown in the following table:

Total Volume of

n-Octanol Added (mL)

Saturation Concentration (g/L)

Observations

0.5

210

Undissolved test substance present

1

105

Undissolved test substance present

2

52.6

Undissolved test substance present

3

35.0

Undissolved test substance present

4

26.3

Undissolved test substance present

5

21.0

Undissolved test substance present

10

10.5

Undissolved test substance present

The solubility was estimated to be less than 10g/L and definitive testing was continued using the adapted flask method.

Preliminary Test (Adapted Flask Method)

The preliminary estimate of the octanol solubility at 20.0 ± 0.5 °C was 16.5 g/L.

Definitive Test (Adapted Flask Method)

The mean peak areas relating to the solutions are shown in the following table:

Solution

Mean Peak Area

Standard 5.03 x 103mg/L

6.5427 x 107

Standard 4.02 x 103mg/L

4.8068 x 107

Standard 3.02 x 103mg/L

3.4944 x 107

Standard 2.01 x 103mg/L

2.0553 x 107

Standard 1.01 x 103mg/L

8.0096 x 106

Standard 503 mg/L

3.0830 x 106

Standard 2.09 x 103mg/L

2.2034 x 107

Matrix blank

1.4243 x 105

Sample 1A

3.6103 x 107

Sample 1B

3.7235 x 107

Sample 2A

3.6951 x 107

Sample 2B

3.6908 x 107

Sample 3A

3.9035 x 107

Sample 3B

3.9054 x 107

For the calibration curve from which the sample concentrations were interpolated, kindly refer the attached background material section of the IUCLID.

The concentration (g/L) of test substance in the sample solutions is shown in the following table:

Sample Number

Time Shaken at

~ 30 ºC (h)

Concentration (g/L)

1

24

15.9

2

48

16.0

3

72

16.8

Mean corrected concentration: 16.2 g/L at 20.0 ± 0.5ºC

Discussion

As the adapted flask method preliminary test result was close to that of the loading rate value, the definitive test utilised a higher loading rate. This result has been obtained considering the test substance as a whole. As the test substance is a complex mixture, the solubility of the individual constituents may differ. The MT-181 preliminary result suggested the solubility was less than 10 g/L and less than the definitive result; this may have been due the longer shaking times and higher temperature (30°C) used in the flask method allowing for a greater dissolution.

Conclusion

The octanol solubility of the test substance has been determined to be16.2 g/L of solution at 20.0 ± 0.5°C.

Conclusions:
Under the study conditions, the n-octanol solubility of the test substance was determined to be 16.2 g/L of solution at 20.0 ± 0.5°C.
Executive summary:

A study was conducted to determine the n-octanol solubility of the test substance, according to OECD Guideline 105 and EU Method A.6, using adapted flask method. Under the study conditions, the n-octanol solubility of the test substance was determined to be 16.2 g/L of solution at 20.0 ± 0.5°C (Envigo, 2019).

Description of key information

The n-octanol solubility of the test substance was determined using the adapted flask method, according to OECD Guideline 105 and EU Method A.6 (Envigo, 2019).

Key value for chemical safety assessment

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

Additional information

n-octanol solubility: 16.2 g/L