2-phenylisobutyric acid

Carcinogenicity

Description of key information

Data reliable are considered for classification.

Key value for chemical safety assessment

Carcinogenicity: via oral route

Link to relevant study records

Reference

Endpoint:

carcinogenicity

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The study results are considered because the substance is in the Applicability Domain (AD) of the model.

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Guideline:

other: REACH guidance on QSARs R6, May 2008

Details on results:

Model assessment:
Prediction is " NON carcinogen", and the result may be reliable as the following issues were observed:
- predicted substance is into the Applicability Domain of the model,
- strongly similar compounds with known experimental value in the training set have been found,
- similar molecules found in the training set have experimental values that agree with the predicted value,
- accuracy of prediction for similar molecules found in the training set is good,
- all atom centered fragment of the compound have been found in the compounds of the training set,
- model class assignment is well defined,
- predicted value agrees with experimental values of training set compounds laying in the same neuron,
- descriptors for this compound have values inside the descriptor range of the compounds of the training set.


Details are provided in attachment on the section: "attached full study report".

Relevance of carcinogenic effects / potential:

The substance is predicted to be NON carcinogen.

Conclusions:

The study results are in the Applicability Domain (AD) of the models. Therefore, the substance is NON carcinogen.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Carcinogenicity: via inhalation route

Endpoint conclusion

Endpoint conclusion:

no study available

Carcinogenicity: via dermal route

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

According to Directive 67/548/EEC and to Regulation (EC) n. 1272/2008, the substance should not be classified for cancerogenicity but it considered inconclusive.

Additional information

The VEGA QSAR shows that FEXO-1 could be NON cancerogen; but due to the weight of evidence caused by lack of validity of the model, FEXO-1 is considered inconclusive for classification.

Justification for selection of carcinogenicity via oral route endpoint:
The VEGA QSAR shows that FEXO-1 could be NON cancerogen; but due to the weight of evidence caused by lack of validity of the model, FEXO-1 is considered inconclusive for classification.