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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

Link to relevant study record(s)

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Endpoint:
dissociation constant
Data waiving:
other justification
Justification for data waiving:
the study does not need to be conducted because the substance is hydrolytically unstable (half-life less than 12 hours)
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation with use of SPARC pKa online calculator v 4.6, chemical reactivity models for estimation of ionisation pKa in water.
GLP compliance:
no
Dissociating properties:
no

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

not applicable

Key value for chemical safety assessment

Additional information

The substance 2-isocyanatoethyl methacrylate (CAS 30674-80-7) is hydrolytically unstable (half-life less than 12 hours) and has no dissociable groups. QSAR calculations performed with SPARC v4.6 show that the substance does not dissociate in pH range -0.2 to 14.