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

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

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 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC estimation method

Media:

other:

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

Radiolabelling:

no

Key result

Sample No.:

#1

Type:

log Koc

Value:

3.21 dimensionless

Matrix:

Bisphenol AF

Key result

Sample No.:

#2

Type:

log Koc

Value:

6.59 dimensionless

Matrix:

Phosphonium Salt

Details on results (HPLC method):

The estimated results for the Phosphonium Ion are log10 Koc 6.59 and Koc 3.90 x 10E6

The test item has two components Bisphenol AF and a Phosphonium counterion. The Bisphenol AF has an estimated dissociation constant of 8.7 to 9.5 and is therefore ‘seen’ by the HPLC analysis required for adsorption coefficient. The Phosphonium Salt however, at pH 7, is a cationic substance and can bind to the HPLC stationary phase, due to secondary ionic interactions with the residual silianol groups of the HPLC column, therefore a calculation was considered more appropriate.

Validity criteria fulfilled:

yes

Conclusions:

- for the Bisphenol AF: Koc was determined using the HPLC method, Log Koc was 3.21 leading to a mobility class of " low mobility"
- for the Phosphonium Salt: Koc was predicted using structural analysis (calculation), Log Koc was 6.59 leading to a mobility class of "immobile"

Executive summary:

The adsorption coefficient has been determined using the HPLC screening method, designed to be compatible with Method C19 Adsorption Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 121 of the OECD Guidelines for Testing of Chemicals, 22 January 2001.

The test item has two components Bisphenol AF and a Phosphonium counterion. The Bisphenol AF has an estimated dissociation constant of 8.7 to 9.5 and is therefore ‘seen’ by the HPLC analysis required for adsorption coefficient. The Phosphonium Salt however, at pH 7, is a cationic substance and can bind to the HPLC stationary phase, due to secondary ionic interactions with the residual silianol groups of the HPLC column, therefore a calculation was considered more appropriate.

The results are as follows:

- for the Bisphenol AF: Log Koc was 3.21 leading to a mobility class of " low mobility"

- for the Phosphonium Salt: Log Koc was 6.59 leading to a mobility class of "immobile"

Description of key information

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. No deviation from the guideline has been observed during the test.

The test item has two components Bisphenol AF and a Phosphonium counterion. The Bisphenol AF has an estimated dissociation constant of 8.7 to 9.5 and is therefore ‘seen’ by the HPLC analysis required for adsorption coefficient. The Phosphonium Salt however, at pH 7, is a cationic substance and can bind to the HPLC stationary phase, due to secondary ionic interactions with the residual silianol groups of the HPLC column, therefore a calculation was considered more appropriate.

The results are as follows:

- for the Bisphenol AF: Log Koc was 3.21

- for the Phosphonium Salt: Log Koc was 6.59

Key value for chemical safety assessment

Koc at 20 °C:

3 900 000

Additional information

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

[LogKoc: 6.59]