Registration Dossier

Physical & Chemical properties

Dissociation constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
dissociation constant
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance has no ionic structure

Description of key information

No dissociating groups present in the molecule.

Key value for chemical safety assessment

Additional information

In accordance with column 2 of REACH Annex IX, a study does not need to be conducted if it is scientifically not possible to perform the test (e.g. because the analytical method is not sensitive enough). In accordance with chapter R.7.1.17 of REACH Guidance on Information Requirements and Chemical Safety Assessment, ch. R.7a, testing is not required if the substance does not contain an ionisable functional group. This is supported by the result from ChemAxon pKa calculator (Calculator Plugin 17.14.0 (2017-07-03), https://www.chemaxon.com/): it concludes that no ionisable atom was found, based on Canonical SMILES: CC1=C(C(=CC=C1)Cl)C. This is in support for the substance having no ionisable functional groups in the normal pKa range.