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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
skin irritation / corrosion, other
Remarks:
Toxtree
Type of information:
other: expert system based on decision tree approach
Adequacy of study:
disregarded due to major methodological deficiencies
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
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:
2018
Bibliographic source:
Skin irritation/skin 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:
CC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

Results and discussion

In vitro

Results
Irritation / corrosion parameter:
other: ToxTree
Run / experiment:
Not determinable
Remarks on result:
not determinable

Applicant's summary and conclusion

Interpretation of results:
study cannot be used for classification
Conclusions:
The irritance corrosion potential of the substance could not be predicted by the expert system utilized.