trisodium (2S)-2,6-bis(3-carboxylatopropanamido)hexanoate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (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
- Source and lot/batch No.of test material:
23ADB/50
- Expiration date of the lot/batch:
21-11-2023

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material:
room temperature
- Stability under test conditions:
5 years

The test sample consists of a brown liquid contained in a 5L plastic tank. An aliquot of test sample will be sampled for the analysis.
To conduct the test, the substance was taken to dryness, heating to temperatures below 65°C.

Water solubility:

1 047 g/L

Conc. based on:

test mat.

Loading of aqueous phase:

5 000 other: mg/mL

Incubation duration:

> 1 - < 5 d

Temp.:

30 °C

pH:

> 6.66 - < 6.7

Details on results:

Preliminary test of Water solubility
Global results of the preliminary tests (100 mg in 0.5 mL) of water solubility at ambient temperature of the test item.
Preliminary test Approximate solubility 1000-200 g/L


Water solubility test
The aqueous solubility at 20°C of the test item “Trisodium (2S)-2,6-bis(3-carboxylatopropanamido)
hexanoate” is :
Global results of the water solubility test at 20°C.
Water solubility test
Aqueous solubility 1047.0 g/L RSD%= 0.8%

The results from vessels 1 to 3 appeared sufficiently constant and their RSD% did not differ by more than 15%. For this reason the results of these three first flasks, are averaged.

pH determination
The pH determination at 20°C of each test sample “Trisodium (2S)-2,6-bis(3-carboxylatopropanamido) hexanoate” is reported. Measurements were performed on the liquid derived from the first dilution of the water solubility (100 mg in 50 mL of HP water).

pH determinations of the water solubility test at 20°C.
pH determination S1 S2 S3
pH (20°C) – water 6.74 6.66 6.70

Conclusions:

The water solubility of test item “Trisodium (2S)-2,6-bis(3-carboxylatopropanamido) hexanoate” was
performed according to “OECD 105 Adopted by the Council on 27th July 1995”, by an HPLC method.
Parameters verified during this analytical method, developed and validated according to
SANCO/3030/99 rev.4, were: Specificity, Linearity, Accuracy and Precision.
The method proved to be specific, linear, precise and accurate.
The aqueous solubility at 20°C proved to be 1047.0 g/L.

Executive summary:

The water solubility of test item “Trisodium (2S)-2,6-bis(3-carboxylatopropanamido) hexanoate” has been determined according to “OECD 105 Adopted by the Council on 27^thJuly 1995”, by an HPLC method.

The water solubility of a substance is the saturation mass concentration of the substance in water at a given temperature. The determination must be conducted on essentially pure substances which are stable in water and not volatile.

Before determining water solubility, a preliminary test was performed. It allows to determine approximately the appropriate amount of sample to be used in the final test, as well as the time necessary to achieve saturation. The preliminary test proved that the amount of active substance dissolved was major of 10^-2g/L and subsequently the flask method can be used in this study.

In this study the flask method was applied and an HPLC analytical method was validated for these determinations.

Parameters verified during this analytical method, developed and validated according to SANCO/3030/99 rev.4, were: Specificity, Linearity, Accuracy and Precision.

The test was performed with pre-incubation at 30°C and was run at 20°C. This temperature was kept

constant in all relevant parts of the equipment.

The aqueous solubility at 20°C of the test item proved to be 1047.0 g/L.

Description of key information

The water solubility of test item “Trisodium (2S)-2,6-bis(3-carboxylatopropanamido) hexanoate” was performed according to “OECD 105 Adopted by the Council on 27^thJuly 1995”, by an HPLC method.

Parameters verified during this analytical method, developed and validated according to SANCO/3030/99 rev.4, were: Specificity, Linearity, Accuracy and Precision.

The method proved to be specific, linear, precise and accurate.

The aqueous solubility at 20°C proved to be 1047.0 g/L.

Key value for chemical safety assessment

Water solubility:

1 047 g/L

at the temperature of:

30 °C