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Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
10-01-2012 to 23-04-22012
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)
GLP compliance:
yes
Type of method:
flask method
Water solubility:
< 4.93 mg/L
Temp.:
20 °C
Remarks on result:
other: pH not determined

The concentration of test item in the sample solutions is shown in the following table:

Sample Number

Time shaken at ca. 30°C (hours)

Time equilibrated at 20°C (hours)

Concentration (g/L)

1

1

0.5

<4.93E-03

2

2

0.5

<4.88E-03

3

3

0.5

<3.24E-03

Conclusions:
The water solubility of the substance is less than 4.93 mg/L at 20 °C.
Executive summary:

Test Guidance

OECD Guideline No. 105 and EC Method A6: Flask method

Method and materials

The test was performed with reduced shaking and equilibration periods as it is known that the functional groups within the test item structure are known to be hydrolytically unstable. Although the test item itself may not be prone to rapid hydrolysis as it is highly hydrophobic, individual molecules of the test item that dissolve may be. The broad peak in the chromatography at approximately 2 minutes was not used in the calculations or considered as a main component of the test item. The main components of the test item were, as expected highly retained and required a gradient to 100% tetrahydrofuran to elute them.

Results

The liquid test item very easily dispersed in water to give a stable suspension, even though it was only shaken at a relatively slow 50 rpm which could not be cleaned up by centrifugation. The water solubility samples were therefore filtered in an attempt to remove the excess test item and although they appeared clear, excess test item may still have remained. Therefore, it was decided to take the result as a limit value. Although the sample blank was subtracted, which showed a peak at the same time, the peak in the samples may have contained background extracts additional to those also in the sample blank. The final result was considered to be higher than the actual water solubility of the test item, especially when compared with the calculated value.

Conclusions

The water solubility of the substance is less than 4.93 mg/L at 20°C.

Description of key information

The water solubility of the substance is less than 4.93 mg/L at 20 °C (OECD 105 and EU Method A.6).

Key value for chemical safety assessment

Water solubility:
4.93 mg/L
at the temperature of:
20 °C

Additional information

The key study was performed in accordance with OECD Guideline No. 105 and EU Method A.6: Flask method. The test was performed with reduced shaking and equilibration periods as it is known that the functional groups within the test item structure are known to be hydrolytically unstable. The main components of the test item absorbed strongly to the HLPC column. The liquid test item very easily dispersed in water to give a stable suspension, even though it was only shaken at a relatively slow 50 rpm which could not be cleaned up by centrifugation or filtration. Therefore, it was decided to take the result as a limit value. Furthermore, samples may have contained background extracts additional to those also in the sample blank. The final result was considered to be higher than the actual water solubility of the test item. The water solubility of the substance is less than 4.93 mg/L at 20 °C.