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EC number: 252-907-8 | CAS number: 36196-44-8
The uncertainty of the prediction was evaluated considering the following aspects associated with the applicability domain: i) physico-chemical rules; ii) structural rules/alerts.
An overall limited uncertainty was attributed to the negative skin irritating/corrosive prediction generated for TEMPIC, which was then assessed as moderately reliable.
This study was designed to generate estimated in silico (non-testing) data of skin irritation/corrosion for Tris[2-(3-mercaptopropionyloxy)-ethyl] isocyanurate (TEMPIC). A reliability score of 2 was assigned to the prediction, since results were derived from a valid (Q)SAR model. The skin irritation model implemented in Toxtree v 2.6.13 was employed, which estimates the potential of a chemical to cause skin irritation based on expert rule-based decission tree. A physico-chemical property exclusion rule, i.e. melting point (MP) greater than 200°C was fullfield for the target i.e. the estimated MP value of the target (313.86°C, EPI Suite) exceeded the property limit of 200°C, thus suggesting a lack of skin irritation or corrosion potential for the target TEMPIC. Uncertainty of the prediction was evaluated considering the following aspects associated with the applicability domain: i) physico-chemical rules; ii) structural rules/alerts. An overall limited uncertainty was attributed to the negative skin irritating/corrosive prediction generated for TEMPIC, which was then assessed as moderately reliable. The skin irritation prediction was thus assessed as adequate for regulatory purposes.
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