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Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

29 JUL 2021 - 28 SEP 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted July 27, 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EC Publication No. O.J. L81, 19 March 2014

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

Solubility: Column Elution Method; Shake Flask Method”

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

column elution method

Water solubility:

< 0.05 mg/L

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 7 - <= 7.3

Calibration

Calibration solutions were prepared in 0.05 – 5 μg/mL concentration range and they were analysed by HPLC with three replicate injections from each. The calibration graph was calculated applying weighted linear regression. Weighting factor was 1/concentration. The data of the calibration lines are presented in the table below.

 

Table. Parameters of the calibration equations

Analytical occasion	Equation	r2
August 15, 2021	f(x)=63527.3*x+419.602	0.999
August 16, 2021	f(x)=67487.3*x+217.088	1.000
August 17, 2021	f(x)=72198.5*x+408.930	0.998
August 24, 2021	f(x)=68949.0*x+230.461	0.999
August 25, 2021	f(x)=68742.2*x+182.929	0.999
August 26, 2021	f(x)=65956.1*x+334.941	0.999

 

Measured Water Solubility

25 mL/h: samples were taken after 1, 2 and 3 days. The measured concentrations were under the LOQ (0.05 mg/L) after three days, the study was interrupted. Presence of the test item was verified by rinsing the micro-columns with tetrahydrofuran and subsequent HPLC measurement of the obtained solution.

12.5 mL/h: samples were taken after 1, 2 and 3 days. The measured concentrations were under the LOQ (0.05 mg/L) after three days, the study was interrupted. Presence of the test item was verified by rinsing the micro-columns with tetrahydrofuran and subsequent HPLC measurement of the obtained solution.

 

Measured pH values

Before the pH measurement, 2-point calibration of the pH meter was performed. The calibrated range was between 7–10, the measurement was performed at 20 ± 1 °C. The measured pH values were between 7.0 and 7.3.

Conclusions:

In conclusion the water solubility of tes item was determined to be under the LOQ (0.05 mg/L) at 20 ± 0.5 °C and pH 7.0–7.3, using the column elution method.

Executive summary:

Applying the column elution method in a GLP-study according to OECD guideline 105, EU method A.6 and OPPTS 830.7840 the water solubility of the sample was determined to be under the LOQ of the method (0.05 mg/L) at 20 ± 0.5 °C and pH 7.0–7.3.

Description of key information

Applying the column elution method in a GLP-study according to OECD guideline 105, EU method A.6 and OPPTS 830.7840 the water solubility of the sample was determined to be under the LOQ of the method (0.05 mg/L) at 20 ± 0.5 °C and pH 7.0–7.3.

Key value for chemical safety assessment

Water solubility:

0.05 mg/L

at the temperature of:

20 °C

Additional information

Key value for the chemical safety assessment is a limit-value because the real water solubility could not be observed with the available method. So the water solubility is below 0.5 mg/L which is the LOQ of the method.