Registration Dossier
Registration Dossier
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EC number: 225-083-2 | CAS number: 4651-67-6
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Skin sensitisation
Experimental data on the skin sensitisation of 3-α-hydroxy-7-oxo-5-β-cholan-24-oic acid are not available.
QSAR Toolbox has identified one structural alert for skin sensitisation, this alert is “ketones”. A chemical with this structural alert could interact with proteins via “Nucleophilic addition to ketones”.
Simple structural alerts of high sensitivity may in some instances be based purely on the presence of a particular type of functional group of high reactivity, e.g., aliphatic aldehydes. However, it is clear that for a high frequency of skin sensitization to be exhibited the necessary level of reactivity of a functional group may in many instances require appropriate activation by other groups or substituents in the molecule.
Considering the high reactivity and in particular the DPRA (Direct Peptide Reactivity Assay) i.e. the reactivity assay which evaluates the ability of chemicals to react with proteins, the substance is considered as non reactive.
Simple ketones are usually too weakly reactive to sensitize unless log P is very high. This is taken into account in TIMES SS model by defining a threshold of logKow > 4 for weak skin sensitizers (UD-06 logKow < 4).
Moreover, the possession of a structural alert by itself is not sufficient to prove that a chemical is a potential skin sensitiser. A chemical that does not penetrate into the skin cannot induce or elicit allergic contact dermatitis unless the dermal barrier is by-passed. The permeability of chemicals through the skin has been shown to depend largely on a few key physicochemical characteristics as logP values for lipophilicity.
In order to estimates skin sensitization potential from physicochemical property ranges and structural rules, the software Toxtree (v.2.6.13) has been used; substance is been predicted as “No skin sensitisation reactivity domains alerts identified”.
Overall, hazard class "skin sensitisation" are judged as inconclusive for the classification.
Respiratory sensitisation
Experimental data on the respiratory sensitisation of 3-α-hydroxy-7-oxo-5-β-cholan-24-oic acid are not available.
QSAR Toolbox has not identified any structural alert for this property.
Overall, hazard class "Respiratory sensitisation" are judged as inconclusive for the classification.
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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