Registration Dossier
Registration Dossier
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EC number: 218-301-2 | CAS number: 2110-78-3
Endpoint summary
Administrative data
Description of key information
For the endpoint skin sensitisation five different, scientifically valid QSAR models were applied within a weight-of-evidence approach.
Profiling (OECD QSAR Toolbox)
As a first step, profiling with the OECD QSAR Toolbox (version 4.1) was performed. Since protein-binding is a crucial step for a molecule to induce skin sensitisation as described in the ‘Adverse Outcome Pathway for skin sensitisation’ (OECD, 2014), profilers detecting structural alerts for protein-binding have been analyzed. This allows an initial assessment of skin sensitising potential. Seven profilers for protein-binding were regarded. No structural alert associated with protein-binding was detected by any of the seven profilers. This provides evidence that no skin sensitising potential can be expected for methyl 2-hydroxyisobutyrate.
Read-across (OECD QSAR Toolbox)
Read-across on methyl 2-hydroxyisobutyrate was performed with the OECD QSAR Toolbox (version 4.1). The analogues for this read-across were selected prior to the analysis and loaded into the data matrix via the "query tool". Read-across was performed with five analogues using the logKow as 'active descriptor'. Methyl 2-hydroxyisobutyrate was predicted negative. This prediction is reliable, because it was generated by a scientifically valid model and lies within the applicability domain of the model.
QSAR (CASE Ultra, SciQSAR, Leadscope)
Skin sensitisation potential of methyl 2-hydroxyisobutyrate was predicted with the skin sensitisation models CASE Ultra, SciQSAR and Leadscope, which are implemented in the 'Danish QSAR Database'. Methyl 2-hydroxyisobutyrate was predicted to be "not sensitising" by all three models. These predictions are reliable, because they were generated by scientifically valid models and lie within their applicability domain.
Conclusion
The predictions of the applied silico methods are consistent, reliable and are in line with a mechanistic understanding of the Adverse Outcome Pathway of skin sensitisation. As a conclusion, methyl 2-hydroxyisobutyrate is considered not sensitising.
Key value for chemical safety assessment
Skin sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Methyl 2-hydroxyisobutyrate is not classified as a skin sensitiser according to Regulation (EC) No 1272/2008 (CLP Regulation), because there is no evidence for a skin sensitising mode of action. This is underlined by five scientifically valid QSAR models making the consistent prediction that methyl 2 -hydroxyisobutyrate is not sensitising.
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