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

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

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 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

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

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

0.875

Temp.:

21.5 °C

Remarks on result:

other: Bisphenol AF

Type:

Pow

Partition coefficient:

7.64

Temp.:

21.5 °C

Remarks on result:

other: Bisphenol AF

Key result

Type:

log Pow

Partition coefficient:

2.98

Temp.:

21.5 °C

Remarks on result:

other: Phosphonium Salt

Type:

Pow

Partition coefficient:

790

Temp.:

21.5 °C

Remarks on result:

other: Phosphonium Salt

Details on results:

The determination of partition coefficient was performed using the shake-flask method. This was due to both the nature of the sample (containing a salt) and the expected partition coefficient obtained in the preliminary assessment. All log10 Pow results are within ± 0.3 log units of each other as required by the guidelines.

During the partition the pH drifted from approximately 7.5 to approximately 10.5. This may be large due to the double anionic charge on the Phosphonium ion, however the pH drift is within a biological range (pH 2-14), therefore it can also be assumed that any effect this shift in pH has on the log10 Pow would also be seen if the compound as a mixture would naturally be seen if introduced into a natural environment.

Conclusions:

The results (determined at 21.5 ± 0.5 °C) are as follows:
- for the Bisphenol AF, the Log Pow was 0.875.
- for the Phosphonium Salt, the Log Pow was 2.98

Executive summary:

The partition coefficient was determined using the flask method, designed to be compatible with Method A8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 107 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

The results (determined at 21.5 ± 0.5 °C) are as follows:

- for the Bisphenol AF, the Log Pow was 0.875.

- for the Phosphonium Salt, the Log Pow was 2.98

Description of key information

The partition coefficient of the test item was determined with the shake flask method according to recognized guidelines and GLP (OECD Guideline 107 and EU Method A.8). No deviation from the guideline was observed during the study.

The results (determined at 21.5 ± 0.5 °C) are as follows:

- for the Bisphenol AF, the Log Pow was 0.875.

- for the Phosphonium Salt, the Log Pow was 2.98

Key value for chemical safety assessment

Log Kow (Log Pow):

2.98

at the temperature of:

21.5 °C

Additional information

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