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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

“Protein binding by OASIS” and “Skin sensitization alerts implemented by Toxtree” are two profilers relevant for skin sensitization.

“Protein binding by OASIS” includes categories or chemical mechanism of protein binding particularly relevant for skin sensitization. Toxtree decision rule system identifies alerts for skin sensitization using a SMARTS pattern based approach. “Skin sensitization alerts” is based on the identification of structural alerts for skin sensitization as described in Enoch et al (Enoch SJ et al., SAR & QSAR Environ Res. 2008;19(5-6), 555-78).

According to “Protein binding by OASIS”, all the target chemicals were classified as “no binding”, since they did not answer any of the categorization criteria. No structural alerts were identified for the five biliary acids according to “Skin sensitization alerts”. In fact no alerts were identified for acyl transfer agent, nor for a potential Michael acceptor, nor for Schiff base formation, nor for potential second-order nucleophilic aliphatic substitution reaction, nor for nucleophilic aromatic substitution reaction.

Thus, it was concluded thatthe five biliary acids are NOT SKIN SENSITIZER.

Justification for selection of skin sensitisation endpoint:
“Protein binding by OASIS” and “Skin sensitization alerts implemented by Toxtree” are two validated profilers relevant for skin sensitization.

Respiratory sensitisation

Endpoint conclusion
Endpoint conclusion:
no study available

Justification for classification or non-classification

Based on the results of a QSAR prediction, 12 -ketochenodeoxycholic acid is not classified for skin seinsitization, according to Regulation 1272/2008/EC.