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Diss Factsheets
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EC number: 292-054-9 | CAS number: 90530-16-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- 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
- 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
- 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
- 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)
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 917 mg/kg bw
- Quality of whole database:
- QSAR prediction
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- 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
- Principles of method if other than guideline:
- QSAR TOOLBOX - application of chemical category approach for predicting
- GLP compliance:
- no
- Test type:
- other: QSAR and read-across
- Sex:
- not specified
- Dose descriptor:
- LC50
- Effect level:
- ca. 1.85 mg/L air
- Based on:
- other: read-across category approach
- Remarks on result:
- other: read-across category approach
- Interpretation of results:
- Toxicity Category IV
- Remarks:
- Migrated information H332 Criteria used for interpretation of results: EU
- Conclusions:
- • Experimental LC50 inhalation data is found for constituent MXDA. It is classified in hazard Category 4.
• Read-across analysis was used for acute inhalation toxicity assessment of constituents A-E. Data category approach was applied for collecting analogues. The performed read-across predictions were focused on the main chemical functionalities present in the target chemicals. Based on the worst read-across prediction all constituents are categorized as Category 4 according to the physical state (CLP/GHS classification).
• Based on the worst-case scenario read-across prediction and applied additive formulate the acute inhalation toxicity of the UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamine is evaluated as 1.85 mg/L air. According to the obtained value, the UVCB is categorized as a Category 4. - Executive summary:
· Based on the worst-case scenario read-across prediction and applied additive formulate the acute inhalation toxicity of the UVCB 2-Propenenitrile, reaction products with 1,3-benzenedimethanamineis evaluated as1.85 mg/L air. According to the obtained value, the UVCB is categorized as a Category 4 (H332).
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 1 850 mg/m³
- Quality of whole database:
- read-across category approach prediction
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- 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
- Principles of method if other than guideline:
- QSAR TOOLBOX - application of chemical category approach for predicting acute dermal toxicity
- GLP compliance:
- no
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- ca. 1 492.53 mg/kg bw
- Based on:
- other: read-across category approach
- Remarks on result:
- other: read-across category approach
- Interpretation of results:
- Toxicity Category IV
- Remarks:
- Migrated information H312 Criteria used for interpretation of results: EU
- Conclusions:
- • 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
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 1 492.53 mg/kg bw
Additional information
QSAR prediction
Justification for classification or non-classification
CLP acut tox oral category 4 (H302)
CLP acut tox inahlation category 4 (H332)
CLP acut tox dermal category 4 (H312)
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