Reaction products of tetrabromophthalic anhydride with 2,2'-oxydiethanol and methyloxirane

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

10 FEB 2021 to XX JUN 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

1998

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7860 (Water Solubility Generator Column Method)

Version / remarks:

1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Water solubility:

15.8 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 8.56 - ca. 8.7

Remarks on result:

other: Monomers

Water solubility:

12.6 µg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 7.09 - ca. 8.2

Remarks on result:

other: Dimer2

Water solubility:

< 0.133 µg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

7.76

Remarks on result:

other: Trimer, < LOQ

Remarks:

Trimers

Under the experimental conditions presented, the mean measured water solubility for the test item, an UVCB substance, was a function of the component selected as a proxy for the test substance.  Based on the applicable components: monomers, dimers and trimers, the water solubility of the test item at 20ºC at each applicable flow rate is presented below:

test item Component	Mean Measured Water Solubility
	at 1.0 mL/min	at 0.5 mL/min
Monomers*	14.9 ± 1.5 mg/L (CV = 9.7%; N = 7)	16.6 ± 1.3 mg/L (CV = 8.1%; N = 7)
Dimers*	12.9 ± 0.69 µg/L (CV = 5.3%; N = 7)	12.4 ± 1.2 µg/L (CV = 9.6%; N = 7)
Trimers*	< LOQ (0.133 µg/L) (N = 3)	Not Performed

The mean measured test item concentrations as a function of column elution flow rate using monomer and dimer to monitor the test substance differed by 11% and 4.0%, respectively, which were within the ± 30% percent difference criterion in the protocol.  The overall mean measured water solubility of the test item as monomers, dimer sand trimers is presented below:

test item Component	Overall Mean Measured Water Solubility
Monomers*	15.8 ± 1.6 mg/L (CV = 10%; N = 14)
Dimers*	12.6 ± 0.97 µg/L (CV = 7.7%; N = 14)
Trimers*	< LOQ (0.133 µg/L) (N = 3)

The pH of the reagent water used was 7.76.  The pH of two aqueous samples collected with the monomer samples was 8.56 and 8.70.  The pH of the two aqueous samples collected with the dimer samples was 7.09 and 8.20.  The pH of a representative sample(s) was inadvertently not measured during the collection of the trimer samples.  Temperature of the throughout the tests was maintained within ± 1°C of 20°C.

Conclusions:

The water solubility of Saytex RB-79, based on the monomer, dimer and trimer components, in
reagent water at 20ºC using the column elution method are presented below:

Monomers: 15.8 ± 1.6 mg/L (CV = 10%; N = 14)
Dimers: 12.6 ± 0.97 µg/L (CV = 7.7%; N = 14)
Trimers: < LOQ (0.133 µg/L) (N = 3)

Executive summary:

A study was performed to determine the water solubility of the test item, an UVCB substance (containing  monomer, dimer and trimer components), at 20°C in reagent water.  The test was performed using reagent water and the column elution method according GLP and to OECD Guideline 105. Additional guidance presented in the U.S. EPA Product Properties Test Guidelines, OPPTS 830.7840 and U.S. EPA Product Properties Test Guidelines, OPPTS 830.7860 may be used.

For the monomer and dimer components, the column elution water was diluted with an equal amount of acetone and further diluted as necessary with 50:50:0.1 acetone: reagent water: formic acid dilution solvent for the LC/MS/MS analysis.  For the trimer component, column elution water was twice extracted with dichloromethane to enrich the component.  The combined extract was evaporated to dryness, reconstituted with a final solvent composition of 50:50:0.1 acetone: reagent water: formic acid.  All samples were analyzed for test item concentrations using the respective components as a proxy of the test substance solubility using high performance liquid chromatography with tandem mass spectrometry (LC/MS/MS).

The water solubility, based on the monomer, dimer and trimer components, in reagent water at 20ºC using the column elution method are presented in the table below:

test item based on Component	Overall Mean Measured Water Solubility
Monomers*	15.8 ± 1.6 mg/L (CV = 10%; N = 14)
Dimers*	12.6 ± 0.97 µg/L (CV = 7.7%; N = 14)
Trimers*	< LOQ (0.133 µg/L) (N = 3)

Description of key information

A study was performed to determine the water solubility of the test item, an UVCB substance (containing  monomer, dimer and trimer components), at 20°C in reagent water.  The test was performed using reagent water and the column elution method according GLP and to OECD Guideline 105. Additional guidance presented in the U.S. EPA Product Properties Test Guidelines, OPPTS 830.7840 and U.S. EPA Product Properties Test Guidelines, OPPTS 830.7860 may be used.

For the monomer and dimer components, the column elution water was diluted with an equal amount of acetone and further diluted as necessary with 50:50:0.1 acetone: reagent water: formic acid dilution solvent for the LC/MS/MS analysis.  For the trimer component, column elution water was twice extracted with dichloromethane to enrich the component.  The combined extract was evaporated to dryness, reconstituted with a final solvent composition of 50:50:0.1 acetone: reagent water: formic acid.  All samples were analyzed for test item concentrations using the respective components as a proxy of the test substance solubility using high performance liquid chromatography with tandem mass spectrometry (LC/MS/MS).

The water solubility, based on the monomer, dimer and trimer components, in reagent water at 20ºC using the column elution method are presented in the table below:

test item based on Component	Overall Mean Measured Water Solubility
Monomers*	15.8 ± 1.6 mg/L (CV = 10%; N = 14)
Dimers*	12.6 ± 0.97 µg/L (CV = 7.7%; N = 14)
Trimers*	< LOQ (0.133 µg/L) (N = 3)