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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
repeated dose toxicity: oral
Remarks:
other: QSAR, read-across
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
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
Remarks:
The reliability of the predictions is not high due to the lack of sufficient RDT data for the UVCB and its constituents and a scarcity of analogues with available experimental data.

Data source

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

Materials and methods

Principles of method if other than guideline:
QSAR, read-across
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-Propenenitrile, reaction products with 1,3-benzenedimethanamine
EC Number:
292-054-9
EC Name:
2-Propenenitrile, reaction products with 1,3-benzenedimethanamine
Cas Number:
90530-16-8
IUPAC Name:
2-Propenenitrile, reaction products with 1,3-benzenedimethanamine

Test animals

Species:
rat
Strain:
Sprague-Dawley
Sex:
not specified

Results and discussion

Effect levels

open allclose all
Dose descriptor:
NOEL
Effect level:
ca. 150 mg/kg bw/day (actual dose received)
Based on:
other:
Sex:
not specified
Basis for effect level:
other: QSAR, read-across
Dose descriptor:
LOEL
Effect level:
ca. 342 mg/kg bw/day (actual dose received)
Based on:
other: QSAR, reade-across
Sex:
not specified
Basis for effect level:
other: QSAR, read-across

Target system / organ toxicity

Critical effects observed:
not specified

Applicant's summary and conclusion

Conclusions:
The UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine is not classified as a STOT RE Category 2 H 373 since the reliability of the predictions is not high due to the lack of sufficient RDT data for the UVCB and its constituents and a scarcity of analogues with available experimental data.According to the LOEL predictions, the constituents are Not classified as hazardous for repeated dose toxicity by oral route.
Executive summary:

Ø Experimental NOEL/LOEL data related to the repeated dose toxicity endpoint is found only for m-xylenediamine. The UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine is not classified as a STOT RE Category 2 H 373 since the reliability of the predictions is not high due to the lack of sufficient RDT data for the UVCB and its constituents and a scarcity of analogues with available experimental data.

Ø The in vivo metabolism of all constituents of theUVCB is taken into account due to the long period of exposure. The presence of nitrile group in some of the metabolites indicates possible toxic effect. Based on this, two general metabolites - β-aminopropionitrile and 3, 3`-Iminodipropionitrile - are examined. Data found in the literature shows that the latter represents neurotoxic substance, whereas prolonged exposure of rats to β-aminopropionitrile may cause osteolathirysm.

Ø Similar structures to the target chemicals are searched in Toolbox databases. No suitable analogues containing all functionalities are found. Therefore the constituents are analyzed based on two functionalities, which are expected to cause toxic effects, i.e. benzylamine and aliphatic nitrile.

Ø The NOEL predictions of constituents A to E, based on the benzylamine functionality, are150 mg/kg bw/d(nominal).

Ø The LOEL predictions of constituents A to E, based on benzylamine and aliphatic nitrile functionalities, exceed the CLP Category 2 threshold. Therefore according to the LOEL predictions, the constituents are Not classified as hazardous for repeated dose toxicity by oral route.