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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 November 06, 2017 to March 05, 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
non GLP
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. 17.7 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:

Table 1

Total Volume of

n-Octanol Added (mL)

Saturation Concentration (g/L)

Observations

0.5

205

Opaque, off-white liquid with excess test substance present

1

102

Opaque, off-white liquid with excess test substance present

2

51.2

Opaque, off-white liquid with excess test substance present

3

34.1

Opaque, off-white liquid with excess test substance present

4

25.6

Opaque, off-white liquid with excess test substance present

5

20.5

Opaque, off-white liquid with excess test substance present

10

10.2

Translucent, off-white liquid with excess test substance present

The solubility was estimated to be less than 10 g/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 7.91 g/L.

 

Definitive Test (Adapted Flask Method)

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

Table 2

Solution

Mean Peak Area

Standard 5.10 x 103 mg/L

4.8887 x 107

Standard 4.08 x 103 mg/L

3.9186 x 107

Standard 3.06 x 103 mg/L

2.8480 x 107

Standard 2.04 x 103 mg/L

1.7266 x 107

Standard 1.02 x 103 mg/L

1.0269 x 107

Standard 510 mg/L

4.4953 x 106

Matrix blanks

None detected

Sample 1A

1.7347 x 107

Sample 1B

1.7032 x 107

Sample 2A

1.9566 x 107

Sample 2B

2.0053 x 107

Sample 3A

2.0510 x 107

Sample 3B

2.0400 x 107

 

The calibration curve from which the sample concentrations were interpolated is attached in attached background material section of the IUCLID.

 

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

 

Table 3

Sample Number

Time Shaken at

~ 30 ºC (h)

Concentration (g/L)

1

24

15.2

2

48

17.4

3

72

18.0

Mean concentration (based on Samples 2 and 3): 17.7 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. The overall result was based on Samples 2 and 3. It was considered that Sample 1 was lower as it possibly hadn’t quite reached saturation.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 be 17.7 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 17.7 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, 'mono- and di- C16 PSE, K+ and C16-OH and isostearyl isostearate' (100 %), according to OECD Guideline 105 and EU Methos A.6, using adapted flask method. Under the study conditions, the n-octanol solubility of the test substance was determined to be 17.7 g/L of solution at 20.0 ± 0.5°C (Envigo, 2018).

Description of key information

The n-octanol solubility of the test substance was determined using an adapted flask method according to OECD Guideline 105 and EU Method A.6 (Envigo, 2018).

Key value for chemical safety assessment

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

Additional information

Value used for CSA: 17.7 g/L at 20 °C