N,N'-(2-(4-(2-aminobenzamido)butyl)pentane-1,5-diyl)bis(2-aminobenzamide)

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimnetal Phase: 14 June 2020 to 05 September 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Key result

Water solubility:

ca. 0.004 g/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

ca. 7

Preliminary Test Result

The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 4.8 x 10^-4 g/L. The solution had a pH of 7.0.

Validation of Test System

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0.585 to 4.68 mg/L. The results were satisfactory with a correlation coefficient (r) of 1.000 being obtained.

Conclusions:

The water solubility of the test item has been determined to be 3.96 x 10-3 g/L of solution at 20.0 ± 0.5 °C.

Executive summary:

Introduction

The water solubility of the test substance was determined using a procedure designed to be compatible with the following guidelines:

• Method A.6 Water Solubility of Commission Regulation (EC) No. 440/2008 of 30 May 2008
• Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995

 

Method

The determination was carried out using the column elution method using purified water with a resistivity of greater than 15MΩ.

A preliminary test was performed in order to select the appropriate method and to determine the approximate amount of test item to be used in the main test. The column elution apparatus was set up in duplicate (Systems A and B). Each system consisted of a glass micro-column fitted with a plug of glass wool, connected to a recirculating pump and a reservoir holding approximately 500 mL of purified water. Temperature was maintained at 20.0 ± 0.5 °C. An aliquot (0.0527 g) of test item was dissolved in 100 mL of tetrahydrofuran. Glass beads (approximately 1.0 g) were added and the solvent removed using a rotary evaporator (40 °C). The systems were flushed with purified water for approximately 19 hours which was then discarded. The reservoirs were re-filled with fresh purified water and approximately half the coated glass beads loaded into each micro-column. After allowing the coated beads to soak for at least 2 hours, the water in the column was run to waste. Aliquots (approximately 20 mL) of sample solution from each reservoir were taken at intervals of at least ten bed volumes of eluate. The pH of each sample solution was recorded.

The concentration of test item in the sample solutions was determined by high performance liquid chromatography (HPLC).

Results and Conclusion

The water solubility of the test item has been determined to be 3.96 x 10^-3g/L of solution at 20.0 ± 0.5 °C.

 

Description of key information

Water solubility data summary.

Key value for chemical safety assessment

Water solubility:

0.004 g/L

at the temperature of:

20 °C

Additional information

The water solubility of the test item has been determined to be 3.96 x 10^-3 g/L of solution at 20.0 ± 0.5 °C.