(Z)-α-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetic acid

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 August 2017 to 18 September 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Specific details on test material used for the study:

Source and lot/batch No.of test material: Sponsor and G315483

Key result

Water solubility:

< 0 g/L

Remarks on result:

not determinable because of methodological limitations

Remarks:

Solubility value was below limit of detection

Details on results:

100mg of 1132 Side Chain (T-ATTBA) was transferred into a 20 mL glass vial. 15 mL of water was added to the vial and the sample was vigorously shaken by hand for 5 minutes. The suspension was then transferred to an ultrasonic bath and sonicated for 60 minutes. After 60 minutes a portion of the solution was filtered through a 0.1 μm syringe filter, transferred to a 2 mL vial and analysed by HPLC.
No peak corresponding to the product was detected.
I.e. the concentration of the saturated solution was less than 3.44 μg/L.
It is not expected that any further development of the HPLC method would be such that it would be possible to detect the levels of 1132 Side Chain (T-ATTBA) in a saturated solution.

Due to the limited solubility of the sidechain, some time was spent on developing a sample preparation that would completely dissolve all of the test material. As it would not have been possible to proceed with the analysis if any product used as reference material remained undissolved.
The fact that it was necessary to dissolve the product in a strong solvent, like tetrahydrofuran or dimethyl sulfoxide (sometimes known as the universal solvent), could be considered an indication that the product has a low solubility.

Conclusions:

Material solubility was below method's limit of detection (below 3.44E-6 g/L).
Due to the limited solubility of the sidechain, some time was spent on developing a sample preparation that would completely dissolve all of the test material. As it would not have been possible to proceed with the analysis if any product used as reference material remained undissolved. The fact that it was necessary to dissolve the product in a strong solvent, like tetrahydrofuran or dimethyl sulfoxide (sometimes known as the universal solvent), could be considered an indication that the product has a low solubility.

Description of key information

Material solubility was below the analytical method's limit of detection (below 3.44E-6 g/L).

Key value for chemical safety assessment

Water solubility:

3.44 µg/L

at the temperature of:

20 °C