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EC number: 233-018-4 | CAS number: 10022-28-3
The log Kow of Octacetal is calculated because the structure of the substance lacks the conjugation needed to produce a signal on a UV detector. KowWin is used for calculation and results in a log Kow of 3.17. This QSAR method is appropriate for the following reasons:
In accordance with Annex IX a QSAR model can be used to predict the value needed when the QSAR criteria are satisfied. 1) The EpiSuite KOWWIN model is considered to be sufficiently scientifically valid because it uses the atoms of the model and the functional groups to calculate the log Kow of these groups and add them to calculate an overall log Kow; 2) The substance is in the applicability domain of the model because the substance contains carbon atoms and two ether bonds (acetal) that are considered in the calculation; 3) There is limited uncertainty in calculated value because all atoms are addressed and used for calculation of the Log Kow; 4) The calculation is adequately and reliably documented when using the model (for a picture of the calculation, see model outcome when using the Cas no of Octacetal being: 10022-28-3).
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