Reaction mass of hexadecyl dihydrogen phosphate and cetyl alcohol (mono- C16 PSE and C16-OH)

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 October 19, 2017 to May 09, 2018

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

test procedure in accordance with generally accepted scientific standards and described in sufficient detail

Remarks:

non GLP

Qualifier:

according to guideline

Guideline:

other: CIPAC method MT 181

Deviations:

no

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. 50 - ca. 57 g/L

Temp.:

20 °C

Test substance stable:

not determined

Results

Preliminary test

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	209	Clear, colorless liquid, excess test substance present
1	105	Clear, colorless liquid, excess test substance present
2	52.3	Hazy, colorless liquid, excess test substance present
3	34.9	Hazy, colorless liquid, no excess test substance present

The solubility was estimated to be in the range 33 to 50 g/L and definitive testing was continued using the MT 181 method.

DefinitiveTest

 

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

 

Table 2: Sample1

Total Volume of n-Octanol Added (mL)	SaturationConcentration(g/L)	Observations
2	101	Hazy, colorless liquid, excess test substance present
2.5	80.5	Hazy, colorless liquid, excess test substance present
3	67.1	Hazy, colorless liquid, excess test substance present
3.5	57.5	Hazy, colorless liquid, excess test substance present
4	50.3	Slightly hazy, colorless liquid, no excess test substance present

 

Table 2: Sample 2

Total Volume of n-Octanol Added (mL)	Saturation Concentration(g/L)	Observations
2	100	Hazy, colorless liquid, excess test substance present
2.5	80.0	Hazy, colorless liquid, excess test substance present
3	66.7	Hazy, colorless liquid, excess test substance present
3.5	5.71	Hazy, colorless liquid, excess test substance present
4	5.00	Slightly hazy, colorless liquid, no excess test substance present

The solubility was estimated to be in the range 50 to 57 g/L.

 

Discussion

The hazy effect of the solution was considered to be due to an insoluble minor component of the test substance. This was because the degree of haziness did not change significantly as the solution was diluted, but the bulk of the test substance gradually reduced until none was visible. Although the preliminary result determined a mass of 0.1 g to be used in the definitive test, it was decided to use a mass of 0.2 g as the hazy appearance may have underestimated the point at which all the test substance was considered dissolved. This visually assessed 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 in the range 50 to 57 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 50 to 57 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 CIPAC method MT 181, using measuring cylinder method. Under the study conditions, the n-octanol solubility of the test substance was determined to be 50 to 57 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 the 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:

57 g/L

Additional information

Value used for CSA:57 g/L at 20°C

(n-octanol solubility range: 50-57 g/L)