Reaction mass of Phosphorous(1+), (N-ethylethanaminato) diphenyl(phenylmethyl)-(T-4)-salt with 4, 4' - [2,2,2-trifluoro-1-(trifluoromethyl) ethylidene bis[phenol] (1:1) and (4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]diphenol

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

May 2014 - July 2015

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Batch No.of test material: 3706OB
- Expiration date of the lot/batch: 3MArch 2019
- Purity test date: March 2014
- Purity: 99%

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature in the dark

Key result

Water solubility:

0.311 g/L

Conc. based on:

other: Bisphenol AF

Temp.:

20 °C

pH:

>= 6.5 - <= 6.8

Key result

Water solubility:

212 mg/L

Conc. based on:

other: equivalent phosphonium ion

Temp.:

20 °C

pH:

>= 6.7 - <= 6.8

Details on results:

1) Preliminary Test:
The preliminary estimate of water solubility was 0.386 g/L at 20.0 ± 0.5 °C with respect to the Bisphenol AF component, analysedMean concentration Bisphenol AF : 0.311 g/L at 20.0 ± 0.5 ºC

2) Maint test:
- Bisphenol AF:
Mean concentration Bisphenol AF: 0.311 g/L at 20.0 ± 0.5 ºC
Range Bisphenol AF : 0.281 to 0.338 g/L
Standard Deviation Bisphenol AF : 0.0287 g/L

- Total Phosphorus:
Mean concentration Total Phosphorus : 1.88 x 10-4 g/L at 20.0 ± 0.5 ºC
Range Total Phosphorus: 1.73 x 10-4 to 2.02 x 10-4 g/L

Mean concentration Total Phosphonium Ion : 2.12 x 10-3g/L at 20.0 ± 0.5 ºC
Range Total Phosphonium Ion: 1.95 x 10-3 to 2.28 x 10-3 g/L

Discussion:

As the test item is a reaction mass, whose preliminary water solubility produced a result above 1 x 10-2 g/L when monitoring the more soluble component (Bisphenol AF), the flask method was performed.

Flasks were shaken at 30 °C to promote saturation of the test item within a 72 hour period. Additional flasks for the analysis of total phosphorus content were used as a plateau of solubility had not been achieved after 72 hours.

On completion of the equilibration period, the samples were clear and colorless with excess test item present within the test vessels. After filtration, the filtrate was taken for analysis. Each filtrate was visually observed to be clear/colorless and free from un-dissolved test item.

All individual water solubility values used in calculation of the main test definitive solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guideline.

The Phosphonium ion concentration could not be determined by HPLC analysis due to its low concentration in water and low solubility in solvents. This prevented concentration methods from being carried out, concentrating the samples within a range suitable for HPLC detection. Therefore the concentration was determined by total phosphorus content by ICP-MS analysis.

Conclusions:

The water solubility equivalent concentration of test item in the sample solutions, whilst monitoring the Bisphenol AF content, was determined to be 0.311 g/L of solution at 20.0 ± 0.5 °C.
The equivalent phosphonium ion water solubility of solution at 20.0 ± 0.5 °C was determined to be 2.12 x 10-3 g/L, calculated from a mean total phosphorus concentration of 1.88 x 10E-4 g/L.

Executive summary:

The water solubility was determined using the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

The water solubility equivalent concentration of test item in the sample solutions, whilst monitoring the Bisphenol AF content, was determined to be 0.311 g/L of solution at 20.0 ± 0.5 °C. The equivalent phosphonium ion water solubility of solution at 20.0 ± 0.5 °C was determined to be 2.12 x 10E-3 g/L, calculated from a mean total phosphorus concentration of 1.88 x 10E-4 g/L.

Description of key information

The water solubility of the test item was determined with Shake flask method according to recognized guidelines (OECD Guideline 105 and EU Method A.6 a) and GLP. No deviation from the guideline was observed during the study.

The water solubility equivalent concentration of test item in the sample solutions, whilst monitoring the Bisphenol AF content, was determined to be 0.311 g/L of solution at 20.0 ± 0.5 °C.

The equivalent phosphonium ion water solubility of solution at 20.0 ± 0.5 °C was determined to be 2.12 x 10E-3 g/L, calculated from a mean total phosphorus concentration of 1.88 x 10E-4 g/L.

Key value for chemical safety assessment

Water solubility:

2.12 mg/L

at the temperature of:

20 °C

Additional information

For the Risk assessment, a conservative approach is applied i.e. the solubilty of the component with the lowest solubility was used.