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Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2004
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)
Deviations:
no
GLP compliance:
yes
Type of method:
flask method
Key result
Remarks on result:
not determinable
Remarks:
hydrolytical instability of the test substance in water

The solubility of the substance in distilled water cannot be determined due to hydrolytic instability of the test substance. Suspensions of the test item in distilled water show a pH value of approx. 4. Due to fast hydrolytic degradation at this pH value, the solubility equilibrium could not be reached. Samples taken after different time intervals, until a total time of approx. 24 hours, show results similar to those already measured in aqueous solutions buffered to pH 7 and 9 (solubilities at 20 °C: 0.027 g/L at pH 7, 0.031 g/L at pH 9, see Schering report APC 21/00). This is also to be expected since the substance does not show functional groups that can be protonated or deprotonated.

Conclusions:
Decomposes. The solubility of the substance in distilled water cannot be determined due to hydrolytic instability of the test substance.
Executive summary:

The water solubility was determined according to the OECD guideline 105 and EU method A.6 using the flaks method.

The solubility of the substance in distilled water cannot be determined due to hydrolytic instability of the test substance. Suspensions of the test item in distilled water show a pH value of approx. 4. Due to fast hydrolytic degradation at this pH value, the solubility equilibrium could not be reached. Samples taken after different time intervals, until a total time of approx. 24 hours, show results similar to those already measured in aqueous solutions buffered to pH 7 and 9 (solubilities at 20 °C: 0.027 g/L at pH 7, 0.031 g/L at pH 9, see Schering report APC 21/00). This is also to be expected since the substance does not show functional groups that can be protonated or deprotonated.

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2000
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study without detailed documentation
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
buffered to pH 7 and 9
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Remarks:
buffered to pH 7 and 9
Principles of method if other than guideline:
As part of a program to determine the physical and chemical characteristics of the substance, the water solubility was determined at 20 °C following OECD guideline no. 105 and EC testing guideline no. A.6 using the flask method.
Due to the hydrolytic instability of the substance at acidic pH values the solubility could not be determined in distilled water or at pH values below 7. The solubility was therefore measured in aqueous solutions buffered to pH values of 7 and 9 using the flask method.
GLP compliance:
yes
Type of method:
flask method
Key result
Water solubility:
0.027 g/L
Temp.:
20 °C
pH:
7.04
Remarks on result:
other: 95 % confidence intervals: 0.026 - 0.029 g/L
Water solubility:
0.031 g/L
Temp.:
20 °C
pH:
8.97
Remarks on result:
other: 95 % confidence intervals: 0.030 - 0.033 g/L
Details on results:
No change of the solid state form was observed during the solubility experiment since the X-ray powder diffractograms of the insoluble residues after t = 3 days and of the starting material were identical.
Conclusions:
Slightly soluble (0.1-100 mg/L).
The solubility of the substance at 20 °C was determined in aqueous solutions buffered to pH 7 and 9 using the flask method. The measurement showed a solubility to pH 7 at 0.027 g/L and to pH 9 at 0.031 g/L. Buffer solutions were used due to hydrolytic instability at acidic pH values.
Executive summary:

The solubility of the substance was determined according to OECD guideline 105 and EU Method A.6 using the flask method.

Due to the hydrolytic instability of the substance at acidic pH values the solubility could not be determined in distilled water or at pH values below 7. The solubility was therefore measured in aqueous solutions buffered to pH values of 7 and 9 using the flask method.

The measurement showed a solubility to pH 7 at 0.027 g/L and to pH 9 at 0.031 g/L.

No change of the solid state form was observed during the solubility experiment since the X-ray powder diffractograms of the insoluble residues after t = 3 days and of the starting material were identical.

Description of key information

Water solubility: The solubility of the substance in distilled water cannot be determined due to hydrolytic instability of the test substance.
Buffered aqueous solution: The solubility of the substance at 20 °C was determined in aqueous solutions buffered to pH 7 and 9 using the flask method. The measurement showed a solubility at pH 7 of 0.027 g/L and at pH 9 of 0.031 g/L.

Key value for chemical safety assessment

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

Additional information

The solubility of the substance was measured in aqueous solutions buffered to pH 7.