Hexadecyltrimethylammonium methyl sulphate

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 November 13, 2017 to February 21, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 105: Water solubility

Deviations:

not specified

Qualifier:

according to guideline

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. 3.53 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	197	Opaque liquid with excess test substance present
1	98.7	Opaque liquid with excess test substance present
2	49.4	Translucent, cloudy liquid with excess test substance present
3	32.9	Translucent, cloudy liquid with excess test substance present
4	24.7	Translucent, cloudy liquid with excess test substance present
5	19.7	Translucent, cloudy liquid with excess test substance present
10	9.87	Translucent, hazy liquid with excess 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 4.91 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 151 x 10^3mg/L	3.3645 x 10^7
Standard 1.21 x 10^3mg/L	2.5089 x 10^7
Standard 1.01 x 10^3mg/L	1.9402 x 10^7
Standard 754 mg/L	1.4117 x 10^7
Standard 503 mg/L	7.1997 x 10^6
Standard 251 mg/L	3.0545 x 10^6
Standard 101 mg/L	8.1296 x 10^5
Matrix blank	None detected
Sample 1A	2.5388 x 10^7
Sample 1B	2.5338 x 10^7
Sample 2A	2.5333 x 10^7
Sample 2 B	2.5258 x 10^7
Sample 3A	2.1520 x 10^7
Sample 3B	2.1846 x 10^7

The calibration curve from which the sample concentrations were interpolated, is attached in the 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	3.66
2	48	3.66
3	72	3.26

Mean concentration: 3.53 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 preliminary test result was higher than that of the definitive test result. This was probably because the definitive test had an extended equilibration period at 20°C as it was considered that precipitation of additional test substance that dissolved at 30°C was a slow process. 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.

 

Conclusion

The octanol solubility of the test substance has been determined to be 3.53 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 3.53 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, C16 TMA-MS (86.95 % active) using adapted flask method, according to OECD Guideline 105 and EU Methos A.6. Under the study conditions, the n-octanol solubility of the test substance was determined to be 3.53 g/L of solution at 20.0 ± 0.5°C (Envigo, 2018).

Description of key information

The solubility of the test substance in organic solvents was determined using the adapted flask method and HPLC analysis, according to a method that is similar 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:

3.53 g/L

Additional information

(in n-octanol)