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Toxicological information

Skin irritation / corrosion

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Administrative data

Endpoint:
skin irritation / corrosion, other
Remarks:
in silico
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Please refer to the QMRF and QPRF files provided under the section attached justification.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2020
Report Date:
2020

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Guidance on information requirements and chemical safety assessment, Chapter R.6: QSARs and grouping of chemicals
Version / remarks:
Version 1.0 (May 2008)
Principles of method if other than guideline:
Estimation of skin irritation and corrosion properties of chemicals by applying a decision tree approach. Estimation based on physicochemical property ranges and structural rules.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Specific details on test material used for the study:
SMILES: OCCOCC=C

Results and discussion

In vivo

Results
Irritation parameter:
other: Danish QSAR models
Remarks on result:
other: not irritating or corrosive to skin

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Using the Danish QSAR models, the test item was determined not to be irritating or corrosive to skin.
Executive summary:

The Danish QSAR models were used for prediction of skin irritation or corrosion properties. The test item was determined not to be irritating or corrosive to skin based on the described QSAR method.

The adequacy of a prediction depends on the following conditions:

a) the (Q)SAR model is scientifically valid: the scientific validity is established according to the OECD principles for (Q)SAR validation;

b) the (Q)SAR model is applicable to the query chemical: a (Q)SAR is applicable if the query chemical falls within the defined applicability domain of the model;

c) the (Q)SAR result is reliable: a valid (Q)SAR that is applied to a chemical falling within its applicability domain provides a reliable result;

d) the (Q)SAR model is relevant for the regulatory purpose.

 

For assessment and justification of these 4 requirements the QMRF and QPRF files were developed and attached to this study record.

 

Description of the prediction Model

The prediction model was descripted using the harmonised template for summarising and reporting key information on (Q)SAR models. For more details please refer to the attached QSAR Model Reporting Format (QMRF) file. 

 

Assessment of estimation domain

The assessment of the estimation domain was documented in the QSAR Prediction Reporting Format file (QPRF). Please refer to the attached document for the details of the prediction and the assessment of the estimation domain.