Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Description of key information

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation
Remarks:
other: in silico
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2014
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Screening for protein binding alerts with the OECD QSAR Toolbox v3.2 (OASIS profiler v1.2, OECD)
GLP compliance:
no
Type of study:
other: screening for protein binding alerts

The substance is an

α,β-Carbonyl compound with a polarized double bond. This is a mechanistic alert for michael addition on conjugated systems with electron withdrawing groups (profiler OASIS v1.2). The polarised alkene ester is also identified by the OECD profiler to be an alert for nucleophilic subsition and therefore protein binding.

The molecular weight and the calculated log Pow are both in a range for which skin permeability must be assumed.

Interpretation of results:
sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Endpoint conclusion
Endpoint conclusion:
adverse effect observed (sensitising)

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification