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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
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

Data source

Reference
Reference Type:
other: QSAR model
Title:
Oral rat LD50 - TEST

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.

Test animals

Species:
rat

Administration / exposure

Statistics:
The applicability domain of predictions is assessed considering:

- Similar molecules with known experimental value.
- Accuracy of prediction for similar molecules.
- Concordance for similar molecules.

Results and discussion

Effect levels
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 2 231 mg/kg bw
Remarks on result:
other: Result by Consensus method.

Any other information on results incl. tables

The result appears reliable with restrictions as the predicted compound could be out of the applicability domain of the model.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The substance has a LD50 of ca. 2231 mg/kg bw.