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Physical & Chemical properties

Water solubility

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Description of key information

The water solubility of the test material was predicted to be 9490 mg/L using the validated model SPARC.

Key value for chemical safety assessment

Water solubility:
9 490 mg/L
at the temperature of:
25 °C

Additional information

Three QSAR predications have been provided to address this endpoint on a weight of evidence basis. Four other sources have also been provided as supporting data including; two safety data sheets, an internet source and a handbook.

SPARC predicted the solubility of the test material to be 9490 mg/L. SPARC is a validated model and has thus been assigned a reliability score of 2 according to the principles for assessing data quality set out by Klimisch (1977). Two other predictions using models within EPISuite have also been used. WSKOW and WATERNET predicted the water solubility to be 9939 and 13655 mg/L respectively. These models have been assigned a reliability score of 4, according to Klimisch (1977), as the models are not validated for this substance. There is sufficient consistency between the predications to provide a weight of evidence.

Sigma Aldrich (2012) has been provided as supporting data as the solubility is recorded as 500 mg/L. No method is mentioned so it is not possible to assess the accuracy of the data. However the value supports the consensus that the test material is soluble. This source has also been assigned a reliability score of 4, according to Klimisch (1977).

Hawley (1977), TCI Europe (2012) and Chemical Book (2012) have been provided as supporting data, they all state that the test material is “insoluble”; however, the parameters under which solubility has been classified are not available. Methods have not been mentioned so it is not possible to assess the accuracy of the data. These sources do not agree with the general consensus and have not been used to determine the water solubility of the test material.