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Administrative data

acute toxicity: dermal
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
key study
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

Data source

Reference Type:
study report
Report date:

Materials and methods

Principles of method if other than guideline:
QSAR TOOLBOX - application of chemical category approach for predicting acute dermal toxicity
GLP compliance:

Test material

Constituent 1
Chemical structure
Reference substance name:
2-Propenenitrile, reaction products with 1,3-benzenedimethanamine
EC Number:
EC Name:
2-Propenenitrile, reaction products with 1,3-benzenedimethanamine
Cas Number:
2-Propenenitrile, reaction products with 1,3-benzenedimethanamine

Results and discussion

Effect levels
not specified
Dose descriptor:
Effect level:
ca. 1 492.53 mg/kg bw
Based on:
other: read-across category approach
Remarks on result:
other: read-across category approach

Applicant's summary and conclusion

Interpretation of results:
Toxicity Category IV
Migrated information H312 Criteria used for interpretation of results: EU
• Experimental LD50 dermal data is found for constituent MXDA. It is classified in the GHS acute toxicity hazard Category 5.
• Toolbox read-across analysis was used for acute dermal toxicity assessment of 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine constituents A, B, C, D and E. The performed read-across predictions were focused on the main chemical functionalities present in the target chemicals. Based on the worst case-scenario constituents A, B, and D are categorized in the Category 4 and constituents C and E are categorized as Category 5 according to the GHS classification.
• However, analysis of the structural analogues found in the literature classified constituents A to E in GHS Category 4.
• Based on the worst-case scenario read-across prediction and the applied additive formula for the acute dermal toxicity of UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine is evaluated as 1492. 53 mg/kg. This value falls in GHS/CLP Category 4.
Executive summary:

2-Propenenitrile, reaction products with 1,3-benzenedimethanamineis evaluated as LD50: 1492. 53 mg/kg. CLP: Acut tox dermal category 4 H312