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Dissociation constant

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Description of key information

According to “Endpoint specific guidance R.7.1.17.1” the dissociation constant does not have to be conducted for substances that lack ionisable functional groups.
The calculation program SPARC has been used for the prediction and it indicated that the largest component of the substance is not an ionisable compound since nochange in charge was obtained at different pH. The structure of the other components with a concentration > 1% has also been evaluated and do not contain any ionisable functional groups.
Components;
5,5-Bis(hydroxymetyl)-1,3dioxan, 71.2%,
2-(hydroximethyl)-2-(methoxymethoxy) methyl)-1,3- Propanediol 10.8 %,  
Pentaerythritol 5.6 %,
2-(5-(hydroxymethyl)-1,3-dioxan-2-yl)propane-1,3-diol 1.6 %
According to “Endpoint specific guidance R.7.1.17.1” the dissociation constant does not have to be conducted for substances that lack ionisable functional groups.

Key value for chemical safety assessment

Additional information