Registration Dossier

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
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 prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report Date:
2016

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR and read-across: TIMES AOT model and TB read-across predictions
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 917 mg/kg bw
Based on:
other: QSAR and read-across
Remarks on result:
other: QSAR read-across

Applicant's summary and conclusion

Interpretation of results:
Toxicity Category IV
Remarks:
Migrated information H302 Criteria used for interpretation of results: EU
Conclusions:
• Documented data is only found for constituent MXDA: in vivo LD50 data: 929 mg/kg (category 4 according to the CLP/GHS classification). This is supported by the TIMES AOT model and TB read across predictions. The experimental and predicted data fall into the same toxic category.
• Based on TIMES AOT model and TB read-across predictions:
o Constituents A and C are predicted to belong to hazard category 4 according to CLP/GHS classification.
o Constituents B, D and E are GHS hazard category 5/ CLP not classified.
• The predicted acute oral toxicity of UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine (CAS RN: 90530-16-8) is 917 mg/kg (CLP/GHS hazard category 4).
Executive summary:

The predicted acute oral toxicity of UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine (CAS RN: 90530-16-8) is 917 mg/kg (CLP/GHS hazard category 4: H302)