Reaction mass of orthophosphoric acid and potassium dihexadecyl phosphate and dipotassium hexadecyl phosphate

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 07, 2017 to February 28, 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. 1.47 g/L

Temp.:

20 °C

Test substance stable:

not determined

Results

(A) 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	204	Opaque, off-white liquid with excess test substance present
1	102	Opaque, off-white liquid with excess test substance present
2	50.9	Opaque, off-white liquid with excess test substance present
3	33.9	Opaque, off-white liquid with excess test substance present
4	25.5	Opaque, off-white liquid with excess test substance present
5	20.4	Opaque, off-white liquid with excess test substance present
10	10.2	Opaque, off-white liquid with excess test substance present

The solubility was estimated to beless 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 3.36 g/L.

(B) 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 5.02 x 10^4mg/L	3.2200 x 10^7
Standard 4.02 x 10^3mg/L	2.4659 x 10^7
Standard 3.01 x 10^3mg/L	1.6597 x 10^7
Standard 2.00 x 10^3mg/L	9.8345 x 10^6
Standard 1.00 x 10^3mg/L	3.3759 x 10^6
Standard 502 mg/L	1.3082 x 10^6
Matrix blank	none detected
Sample 1A	7.4021 x 10^6
Sample 1B	7.8151 x 10^6
Sample 2A	6.0977 x 10^6
Sample 2B	6.1484 x 10^6
Sample 3A	5.8246 x 10^6
Sample 3B	5.8948 x 10^6

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

Table 3

Sample number	Time shaken at ~ 30 ºC (h)	Concentration (g/L)
1	24	1.65
2	48	1.40
3	72	1.36

Mean concentration: 1.47 g/L at 20.0 ± 0.5ºC

Discussion

This results 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 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.

Conclusions:

Under the study conditions, the n-octanol solubility of the test substance was determined to be 1.47 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, using a 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 1.47 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:

1.47 g/L

Additional information

Value used for CSA:1.47 g/L at 20°C