Acetic acid, 2,2-difluoro-2-[[2,2,4,5-tetrafluoro-5-(trifluoromethoxy)-1,3-dioxolan-4-yl]oxy]-, ammonium salt (1:1)

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

Study period:

December 2020 to December 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

In the absence of a specific guideline for the measurement of the octanol solubility the guidelines describing the water solubility test were used as reference.

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 105. Water Solubility

Version / remarks:

1995

Deviations:

yes

Remarks:

The guideline is intended for the measurement of the water solubility. In the absence of a specific guideline for the measurement of the octanol solubility the guideline describing the water solubility test was used.

Qualifier:

according to guideline

Guideline:

other: EC guideline A.6. Water solubility

Version / remarks:

2016

Deviations:

yes

Remarks:

The guideline is intended for the measurement of the water solubility. In the absence of a specific guideline for the measurement of the octanol solubility the guideline describing the water solubility test was used.

Qualifier:

according to guideline

Guideline:

other: EPA Product Properties Test Guideline OPPTS 830.7840: Water Solubility: Column Elution Method; Shake Flask Method.

Version / remarks:

1998

Deviations:

yes

Remarks:

The guideline is intended for the measurement of the water solubility. In the absence of a specific guideline for the measurement of the octanol solubility the guideline describing the water solubility test was used.

GLP compliance:

yes (incl. QA statement)

Key result

Medium:

n-octanol

Solubility:

884 g/L

Temp.:

20 °C

Test substance stable:

yes

Details on results:

The maximum difference of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the octanol solubility of the test item is given as the mean value of the analysed concentrations (see table 1)

No test item was detected in the pretreated sample from the blank octanol mixture.

Table 1: Octanol solubility of the test item

Stirring time (h)	Analyzed concentration (g/L)	Mean (g/L)	Maximum difference (%)
24	918	884	6.1
48	864
72	870

Conclusions:

The octanol solubility of the test item at 20°C was 884 g/L.

Executive summary:

In the absence of a specific guidance for the measurement of the octanol solubility the guidelines describing the water solubility test (EC A.6, OECD 105, EPA OPPTS 830.7840) were used as reference for the octanol solubility determination of Cyclic C6O4 ammonium salt.

The test was performed under GLP according to the flask method. 

Quantitative analysis was performed according to an analytical method based on ultra performance liquid chromatographic method with tandem mass spectrometric detection (UPLC-MS/MS) and validated for the quantitative analysis of the test chemical (dry salt) in octanol according to SANCO/3029/99 rev. 4.

Removal of dispersed material after stirring was ensured by the application of two centrifugation steps. The difference between the two analysed concentrations was ≤ 5% indicating that the centrifugation method was appropriate to remove all undissolved test item. Test item could be observed at the bottom of the vessel after centrifugation. 

The maximum difference of the concentrations determined in the 24, 48 and 72 hour test samples was ≤ 15%. Based on this, the octanol solubility of the test item is given as the mean value of the analysed concentrations.

Description of key information

The octanol solubility of Cyclic C6O4 ammonium salt was determined according to the flask method described in the Guidelines EC A.6, OECD 105, EPA OPPTS 830.7840).

The test was performed under GLP.

Quantitative analysis was performed according to a validated analytical method according to SANCO/3029/99 rev. 4.

Key value for chemical safety assessment

At the temperature of:

20 °C

Solubility in organic solvents at 20°C:

884 g/L

Additional information

In the absence of a specific guidance for the measurement of the octanol solubility the guidelines describing the water solubility test (EC A.6, OECD 105, EPA OPPTS 830.7840) were used as reference.