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Toxicological information

Skin sensitisation

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Administrative data

Endpoint:
skin sensitisation: in chemico
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2017
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 adequate and reliable documentation / justification
Justification for type of information:
QSAR Toolbox v.4.0 prediction.

Data source

Reference
Reference Type:
other: QSAR toolbox report
Title:
Toolbox report
Year:
2017
Bibliographic source:
QSAR Toolbox 4.0.0.26167

Materials and methods

Principles of method if other than guideline:
OECD Toolbox has assessed the reactivity of the substance looking for possible alerts on sensitisation; a category of similar substances was defined taking into account organic functional groups.
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid

Results and discussion

In vitro / in chemico

Results
Remarks on result:
other:
Remarks:
no alert was identified as per the QSAR Toolbox v4.2 report

Any other information on results incl. tables

Table 1: Results of generation of general mechanistic and endpoint specific profiles of the test item using QSAR Toolbox 4.2.

General Mechanistic Alerts 
Protein binding by OASIS no alert found
Protein binding by OECD no alert found
Protein binding potency Cys DPRA less than 9 %: no protein binding alert
Protein binding potency Lys DPRA less than 9 %: no protein binding alert
Protein binding potency by GHS not possible to classify according to these rules (GHS)
Endpoint Specific Alerts 
Keratinocyte gene expression not possible to classify according to these rules
Protein binding alerts for skin sensitisation according to GHS no alert found
Protein binding alerts for skin sensitisation by OASIS no alert found
Protein binding potency h-CLAT no alert found
Respiratory sensitisation no alert found
 

Applicant's summary and conclusion

Interpretation of results:
other: No alerts detected for sensitisation
Conclusions:
Not a sensitiser
Executive summary:

OECD Toolbox makes the assessment based on other existing databases and by analysing the reactivity of the molecule.

By analysing the general reactivity of the molecule, no alerts have been detected that may trigger concern for sensitisation potential.