Quaternary ammonium compounds, C18-22 (even numbered) alkyltrimethyl, chlorides; Docosyltrimethylammonium chloride; C18-22 TMAC

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 09, 2017 to March 06, 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

other: CIPAC MT 181: Solubility in organic solvents

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. 35.5 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 ofn-octanol are shown in the following table:

Total Volume of n-Octanol Added (mL)	Saturation Concentration (g/L)	Observations
0.5	204	Opaque, white liquid with excess test item present
1	102	Transparent, colorless liquid with excess test item present
2	51.1	Transparent, colorless liquid with excess test item present
3	34.0	Transparent, colorless liquid with excess test item present
4	25.5	Transparent, colorless liquid with excess test item present
5	20.4	Transparent, colorless liquid with excess test item present
10	10.2	Transparent, colorless liquid with excess test item present

The solubility was estimated to beless than 10g/L anddefinitivetesting was continued using theadapted flask method.

 Preliminary Test(Adapted Flask Method): The preliminary estimate of the octanol solubility at 20.0 ± 0.5 °C was >4.9 g/L

 Definitive Test(Adapted Flask Method)

The mean peak areas relating to the 50 g/L loading ratesolutions are shown in the following table:

Solution	Mean Peak Area
Standard 1.53 x 10^3mg/L	4.4995 x 10^7
Standard 1.23 x 10^3mg/L	3.5024 x 10^7
Standard 1.02 x 10^3mg/L	2.8600 x 10^7
Standard 767 mg/L	1.7926 x 10^7
Standard 516 mg/L	1.0730 x 10^7
Standard 256 mg/L	3.6005 x 10^6
Standard 102 mg/L	9.2100 x 10^5
Matrix blank	None detected
Sample 1A	1.6185 x 10^7
Sample 1B	1.5962 x 10^7
Sample 2A	1.9103 x 10^7
Sample 2 B	1.8515 x 10^7

The mean peak areas relating to the 60 g/L loading ratesolutions are shown in the following table:

Solution	Mean Peak Area
Standard 1.54 x 10^3mg/L	4.6078 x 10^7
Standard 1.23 x 10^3mg/L	3.2912 x 10^7
Standard 1.03 x 10^3mg/L	2.6134 x 10^7
Standard 769 mg/L	1.7527 x 10^7
Standard 506 mg/L	9.9511 x 10^6
Standard 256 mg/L	3.7553 x 10^6
Standard 103 mg/L	9.0987 x 10^5
Matrix blank	None detected
Sample 4A	1.6873 x 10^7
Sample 4B	1.7022 x 10^7
Sample 5A	1.4424 x 10^7
Sample 5 B	1.4969 x 10^7
Sample 6A	1.4872 x 10^7
Sample 7B	1.4873 x 10^7

Conclusions:

Under study conditions, the n-octanol solubility of the test substance, was determined to be in range of 35.5 g/L at 20.0 ± 0.5°C.

Executive summary:

A study was conducted to determine the n-octanol solubility of the test substance, at 20˚C, according to CIPAC MT 181 (solubility in organic solvents). The preliminary estimate of the octanol solubility at 20.0 ± 0.5 °C was >4.9 g/L. The mean of the definitive test tested at 50 g/L adn 60 g/L using adapted flask method was determined to be 35.5 g/L at 20.0 ± 0.5°C. Under study conditions, the n-octanol solubility of the test substance, was determined to be 35.5 g/L at 20.0 ± 0.5°C (Envigo, 2018).

Description of key information

The n-octanol solubility of the test substance was determined according to CIPAC MT 181: solubility in organic solvents (Envigo, 2018).

Key value for chemical safety assessment

At the temperature of:

20 °C

Solubility in organic solvents at 20°C:

35.5 g/L

Additional information

Value used for CSA: 35.5 g/L at 20°C