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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
4.1 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
10.9
Details on results:
According to the results of the material balance (CURRENTA file no.: 2014/0048/03) the test item is described as a mixture of three constituents representing a content of > 99 %. Individual calibration curves were established for the three constituents using the test item as calibration substance with a stipulated content of 100 %.
The water solubility of the test item is calculated as sum of all signals (sum of Mannich Base (3 x / 4 x / 2 x substituted)).

Results of individual determinations and mean value

Water solubility test
at 20 °C – 72 hours

Flask A

Flask B

Flask C

pH-value

10.9

10.9

10.9

Concentration of the
test item HPP 12879-1
(sum of components)

4.07 g/L

4.14 g/L

4.20 g/L

Mean value

4.1 g/L

 

 

24 hours stirring time (additional determination)

Results of individual determinations and mean value

Water solubility test
at 20 °C – 24 hours

Flask D

Flask E

pH-value

10.9

10.9

Concentration of the test item HPP 12879-1
(sum of components)

3.77 g/L

4.07 g/L

Mean value

3.9 g/L

 

Since it was assumed that the test item might not be stable in aqueous media over the required test duration of 72 hours according to OECD 105, additional measurements with a reduced stirring time of 24 hours were performed.

Similar results were obtained. Therefore it can be stated that the water phase is saturated with the sample. For the determination of the water solubility only the tests with 72 hours stirring time were taken into account.

The relative standard deviation between the single determinations is < 15 %. The validity criteria of OECD 105 Guideline have therefore been met.

An example chromatogram of a water solubility test solution is attached in the field "illustration".

The water solubility of the test item HPP 12879-1 in demineralized water at 20 °C is determined to be: 4.1 g/L

Conclusions:
The water solubility of the test item HPP 12879-1 in demineralized water at 20 °C (pH value 10.9) is determined to be 4.1 g/L.
Executive summary:

The water solubility of the test item HPP 12879-1 in demineralized water was determined with the flask method at 20 °C based on OECD TG 105.

The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with UV detection.

According to the results of the material balance (CURRENTA file no.: 2014/0048/03) the test item is described as a mixture of three constituents representing a content of > 99 %. The constituents of the test item were split into separate HPLC peaks.

The water solubility of the test item is calculated as sum of all constituents.

Since it was assumed that the test item might not be stable in aqueous media over the required test duration of 72 hours according to OECD 105, additional measurements with a reduced stirring time of 24 hours were performed. Similar results were obtained. For the determination of the water solubility only the tests with 72 hours stirring time were taken into account.

The water solubility of the test item HPP 12879-1 in demineralized water at 20 °C (pH value 10.9) is determined to be 4.1 g/L.

Description of key information

The water solubility of HPP 12879-1 in demineralized water at 20 °C (pH value 10.9) is determined as 4.1 g/L with the flask method according to OECD 105.

Key value for chemical safety assessment

Water solubility:
4.1 g/L
at the temperature of:
20 °C

Additional information

The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with UV detection.

According to the results of the material balance (CURRENTA file no.: 2014/0048/03) the test item is described as a mixture of three constituents representing a content of > 99 %. The constituents of the test item were split into separate HPLC peaks.

The water solubility of the test item is calculated as sum of all constituents.

Since it was assumed that the test item might not be stable in aqueous media over the required test duration of 72 hours according to OECD 105, additional measurements with a reduced stirring time of 24 hours were performed. Similar results were obtained. For the determination of the water solubility only the tests with 72 hours stirring time were taken into account.

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