Registration Dossier
Registration Dossier
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EC number: 269-125-8 | CAS number: 68187-80-4
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
In accordance with Section 2 of Annex XI of Regulation (EC) 1907/2006 (REACH), it is considered justified to omit the test for water solubility (required under point 7.7 of Annex VII) as it is considered that testing is not technically possible.
It was determined that, during testing, a suspension was formed due to the nature of the substance and the substance could not be fully removed from an aqueous sample; as such the test could not be adequately conducted. Furthermore, the substance is a UVCB substance with the complex mixture providing additional technical challenges.
Due to these issues, the value for water solubility could not be determined in accordance with the standardised guidelines OECD 105 and EU Method A.6. However, the water solubility was visually assessed to be less than 1.77 mg/L at 20 °C.
Key value for chemical safety assessment
Additional information
Supporting information is provided in the form of an estimation produced by validated estimation software. The estimation was performed on a representative structure of the test material.
Sufficient information on the model training set is available to evaluate the applicability of the model, EPI Suite v4.1: WSKOWWIN v1.42 from the US Environmental Protection Agency, to this structure. It was assigned a reliability score of 2 in accordance with the criteria detailed by Klimisch (1997).
WSKOWWIN estimates the water solubility of an organic compound using its log octanol-water partition coefficient (Kow). The representative substance fell within the water solubility range (based on the estimated water solubility), the partition coefficient range (based on an estimated log Kow) and the molecular weight range of the training set of the model. The functional groups of the substance were included in the training set.
The WSKOWWIN model v1.42 (EPI Suite v4.1) estimated the water solubility of a representative structure of the registered substance to be 0.0007109 mg/L at 25 °C. The representative material is considered to be insoluble.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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