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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
04 March 2004 - 24 June 2004
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
Hydrolysis of component 2 in the sample solution occured during the course of the water solubility test.
Principles of method if other than guideline:
It is evident from the information obtained in the hydrolysis study and data relating to the pH or the test material in water, that hydrolysis of component 2 in the sample solution occurred during the course of the water solubility test. The analytical results support however, that sufficient excess undissolved material was present in each sample to ensure saturation over the full time scale of the test.

Sample 1C and Sample 2D have been excluded from further calculation of the water solubility of component 2. This was due to inconsistency with all remaining data points and also to represent a worst case scenario for environment considerations.

Although chemical composition for the test material was supplied, the absence of accurate relative percentage compositions prevented the calculation of definitive water solubilities for each individual component. Although the two components were monitored individually, the results calculated are with respect to the test material as a whole. For example, the concentration of component 1 found in solutions was as if 2.86 x 10^-2 g/l had dissolved. Due to this, the values have been reported as equivalent test material concentration.

Since the water solubility was greater than 1 x 10^-3 for both components, the partition coefficient, rather than the fat solubility was determined, as required by the Protocol.
GLP compliance:
yes
Type of method:
column elution method
Specific details on test material used for the study:
- Purity: Not specified
- Description: light amber coloured, slightly viscous liquid
- Storage: room temperature, in the dark
Water solubility:
0.029 g/L
Temp.:
20 °C
pH:
>= 5 - <= 5.2
Remarks on result:
other: Component 1. Dibutyl fumarate
Water solubility:
0 g/L
Temp.:
20 °C
pH:
>= 5 - <= 5.2
Remarks on result:
other: Component 2. Registered substance
Details on results:
-Preliminary test:
The preliminary estimate of water solubility was 2.36 E-2 g/l and 5.52 E-4 g/l for component 1 and component 2, respectively.
Conclusions:
The water solubility of the test material is 2.33 E-4 g/l at 20.0 +/- 0.5°C (SafePharm, 2004).

Description of key information

The water solubility of the test material is 2.33 E-4 g/l at 20.0 +/- 0.5°C (SafePharm, 2004).

Key value for chemical safety assessment

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

Additional information