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Description of key information

The skin sensitization of the targetcompoundwas predicted employing two differentin silicoapproaches: the QSAR statistical model as provided by Vega and the decision rule system provided by Toxtree and Derek Nexus. The three predictors were employed in order to apply a weight of evidence (WoE) approach to enhance the reliability of the prediction. In the weight of evidence assessment only reliable predictions are to be taken into account.

In the case of the target 2-Benzyl-4-(dimethylamino)butanoic acid, Vega predicted the target compound as sensitizer and the prediction was assessed as moderate reliable,Toxtree identified three alerts and Derek Nexus identified no skin sensitization alerts.

Thus the target compound 2-Benzyl-4-(dimethylamino)butanoic acid was predicted as sensitizer for the skin and the prediction was assessed as moderate reliable.

Key value for chemical safety assessment

Respiratory sensitisation

Endpoint conclusion
Additional information:

The prediction was provided on the substance2-Benzyl-4-(dimethylamino)butanoic acid (CAS 1613 -23 -6), the acid form of the substance in the object of the registration.

Justification for classification or non-classification