Registration Dossier
Registration Dossier
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EC number: 808-281-9 | CAS number: 112401-09-9
Endpoint summary
Administrative data
Description of key information
In silico prediction for acute oral toxicity based on T.E.S.T., version 4.2.1 (Schlecker, March 2021):
Predicted Oral rat LD50 = 118.5 mg/kg BW
Key value for chemical safety assessment
Acute toxicity: via oral route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
The Toxicity Estimation Software Tool (T.E.S.T.) has been developed by the U.S. ENVIRONMENTAL PROTECTION AGENCY (U.S. EPA) to estimate toxicological values for aquatic and mammalian species considering acute and chronic endpoints for screening purposes within TSCA and REACH programs.
T.E.S.T allows to estimate toxicity values using several different advanced Quantitative Structure Activity Relationship (QSAR) methodologies. In the case of acute oral rat toxicity the following methods are used (EPA User’s guide for T.E.S.T.): Hierarchical method, FDA method, Nearest neighbor method, Consensus method
Used tool: T.E.S.T. version 4.2.1
Result: The predicted oral toxicity of PITAM (PIPERIDINE-4-CARBOTHIOAMIDE, CAS 112401-09-9, smiles string: NC(=S)C1CCNCC1) from the Consensus method is LD50 (rat, oral) = 118.5 mg/kg BW (Schlecker, 2021-03-22)
Justification for classification or non-classification
No animal study data for acute toxicity are available for piperidine-4-carbothioamide. However, precautionary self-classification for acute oral toxicity based on the predicted LD50 of 119 mg/kg in rats by T.E.S.T. resulted in Cat. 3 according to Regulation (EU) No. 1272/2008 (CLP).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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