Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
eye irritation, other
Remarks:
Toxtree
Type of information:
other: expert system based on decision tree approach
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF).

Data source

Reference
Reference Type:
other: Expert System
Title:
ToxTree v.3.1.0
Year:
2019
Bibliographic source:
Eye irritation and corrosion decision tree

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Details on test material:
The SMILES included in the reference substance linked in Section 1 (General information) was used as model input.
Specific details on test material used for the study:
O=C(N1C2=CC=CC=C2CCC3=C1C=C([N+]([O-])=O)C=C3)C

Results and discussion

In vitro

Results
Irritation parameter:
other: ToxTree
Remarks on result:
other: non skin corrosive

Applicant's summary and conclusion

Interpretation of results:
study cannot be used for classification
Conclusions:
The substance is predicted to be non corrosive to skin. However, the eye irritation potential of the substance could not be predicted by the expert system utilized.