Registration Dossier

Administrative data

Description of key information

Ursodeoxycholic acid, chenodeoxycholic acid, cholic acid, 7-ketolihtocholic acid and 12-ketochenodeoxycholic acid resulted potentially irritating to the skin and the eyes. 

Key value for chemical safety assessment

Skin irritation / corrosion

Link to relevant study records
Reference
Endpoint:
skin irritation / corrosion
Remarks:
other: in silico
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: No experimental results with laboratory animals are available, but the in silico study is well documented and results are calculated according to validated prediction tools: ACD/Tox Suite and Toxtree.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Reference:
Composition 0
Qualifier:
no guideline available
Principles of method if other than guideline:
ACD/Tox Suite lists all the rules that are applicable and are used in the calculation, it highlights the structural fragments corresponding to the listed rules on the molecule of interest and it provides a list of up to five most similar structures from the training set with the experimental values of their standard Draize test result and references.
Toxtree predicts skin irritation based on physicochemical property exclusion rules and structural inclusion rules and in particular it places chemicals into categories and predicts various kinds of toxic effect by applying decision tree approaches according to the previous rulebases for skin and eye irritation and corrosion.
GLP compliance:
not specified
Test material information:
Composition 1
Species:
rabbit

Regarding skin irritation, ACD/Tox Suite predicts that the five biliary acids are POSITIVE, since monocarboxyacids without basic groups in the molecule are identified as highly probable irritants of the rabbit's skin.

Toxtree did NOT identify any structural alerts for skin irritation for the five biliary acids but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for skin.

Interpretation of results:
other: potentially irritating
Remarks:
Criteria used for interpretation of results: expert judgment
Conclusions:
Following a precautionary point of view, ursodeoxycholic acid is considered to be irritating to the skin.
Executive summary:

Regarding skin irritation, ACD/Tox Suite predicts that the five biliary acids are POSITIVE, since monocarboxyacids without basic groups in the molecule are identified as highly probable irritants of the rabbit's skin.

Toxtree did NOT identify any structural alerts for skin irritation for the five biliary acids but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for skin.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Eye irritation

Link to relevant study records
Reference
Endpoint:
eye irritation
Remarks:
other: QSAR prediction
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: No experimental results with laboratory animals are available, but the in silico study is well documented and results are calculated according to validated prediction tools: ACD/Tox Suite and Toxtree.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Reference:
Composition 0
Qualifier:
no guideline available
Principles of method if other than guideline:
ACD/Tox Suite lists all the rules that are applicable and are used in the calculation, it highlights the structural fragments corresponding to the listed rules on the molecule of interest and it provides a list of similar structures from the training set with the experimental values of their standard Draize test result and references.
Toxtree predicts skin irritation based on physicochemical property exclusion rules and structural inclusion rules.
GLP compliance:
not specified
Test material information:
Composition 1
Species:
rabbit

ACD/ToxSuite predicts the five biliary acids POSITIVE since carboxyacids without basic groups in the molecule are usually irritating to the rabbit's eye. Toxtree did NOT identify any structural alerts for skin irritation but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for eyes.

Interpretation of results:
other: potentially irritant
Remarks:
Criteria used for interpretation of results: other: QSAR prediction
Conclusions:
Ursodeoxycholic acid is considered to be potentially irritant to the eyes.
Executive summary:

ACD/ToxSuite predicts the five biliary acids POSITIVE since carboxyacids without basic groups in the molecule are usually irritating to the rabbit's eye. Toxtree did NOT identify any structural alerts for skin irritation but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for eyes.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Respiratory irritation

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

No experimental results with laboratory animals are available, but the in silico study is well documented and results are calculated according to validated prediction tools: ACD/Tox Suite and Toxtree.

Regarding skin irritation, ACD/Tox Suite predicts that the five biliary acids are POSITIVE, since monocarboxyacids without basic groups in the molecule are identified as highly probable irritants of the rabbit's skin.

Toxtree did NOT identify any structural alerts for skin irritation for the five biliary acids but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for skin.

Regarding eye irritation, ACD/ToxSuite predicts the five biliary acids POSITIVE since carboxyacids without basic groups in the molecule are usually irritating to the rabbit's eye. Toxtree did NOT identify any structural alerts for skin irritation but, following a precautionary principle, the five biliary acids are considered POTENTIALLY IRRITANT for eyes.


Justification for selection of skin irritation / corrosion endpoint:
No experimental results with laboratory animals are available, but the in silico study is well documented and results are calculated according to validated prediction tools: ACD/Tox Suite and Toxtree.

Justification for selection of eye irritation endpoint:
No experimental results with laboratory animals are available, but the in silico study is well documented and results are calculated according to validated prediction tools: ACD/Tox Suite and Toxtree.

Effects on skin irritation/corrosion: irritating

Effects on eye irritation: irritating

Justification for classification or non-classification

According to the results of the QSAR predictions and considering that the substance is a surfactant and surfactants are known to usually produce irritation to skin, eyes and mucosa membranes, ursodeoxycholic acid has been classified as:

Skin Irrit. 2, H315

Eye Irrit.2, H319

according to Regulation 1272/2008/EC.