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EC number: 216-305-9 | CAS number: 1555-58-4
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vitro
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442D (In Vitro Skin Sensitisation: ARE-Nrf2 Luciferase Test Method)
- Qualifier:
- according to guideline
- Guideline:
- other: OECD Guidelien 442E (In Vitro Skin Sensitisation: Activation of dendritic cells -h-CLAT
- GLP compliance:
- no
- Remarks:
- study conducted for reasons of occupational health and safety
- Type of study:
- other: In Vitro Skin Sensitization Turnkey Testing Strategy
Test material
- Reference substance name:
- 3,3'-(methylimino)bispropiononitrile
- EC Number:
- 216-305-9
- EC Name:
- 3,3'-(methylimino)bispropiononitrile
- Cas Number:
- 1555-58-4
- Molecular formula:
- C7H11N3
- IUPAC Name:
- 3-[(2-cyanoethyl)(methyl)amino]propanenitrile
- Test material form:
- liquid
Constituent 1
In vitro test system
- Details on the study design:
- DPRA: The test substance was incubated with synthetic peptides for 24 hours at 25 ± 2.5 °C and the remaining non-depleted peptide concentration was determined by high performance liquid chromatography (HPLC) with gradient elution and UV-detection at 220 nm. The peptides are custom-made material containing phenylalanine to facilitate UV-detection and either cysteine or lysine as the reactive center. Further, a co-elution control was assessed in order to detect possible co-elution of the test substance with the peptides. Moreover, the samples were analyzed by measuring UV absorbance at 258 nm and the area ratio 220 nm/ 258 nm was calculated as a measure of peak purity.
LuSens: The human transgenic keratinocyte cell line LuSens was treated with 8 testsubstance concentrations for 48 hours in at least two independent experiments. Three replicates of each test substance concentration were tested in each experiment. Cells were lysed and luciferase induction was evaluated by measuring luminescence signal after substrate addition (One Glo®, Promega). In parallel a MTT assay was performed to assess cytotoxicity of the test substance.
h-CLAT: The cell line THP-1 was treated with 8 test substance concentrations for 24 hours in at least two independent experiments. Duplicates of each test substance concentration were tested in each experiment. Cells were stained with FITC labeled-anti-human CD86, FITC labeled-anti-human CD54 or the corresponding isotype control FITC labeled-mouse lgG1. The relative mean fluorescence (RFI) of CD86 and CD54 was evaluated by measuring the CD86 and CD54 signal by flow cytometric analysis. In parallel cytotoxicity of the test substance was measured using the fluorescence intensity of PI.
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Remarks on result:
- other: showes minimal or no chemical reactivity
- Remarks on result:
- other: has a keratinocyte activating potential
- Remarks on result:
- other: induces dendritic cell activation
Any other information on results incl. tables
DPRA:
The mean peptide depletion as average of cysteine- and lysine-peptide depletions is calculated and summarized in the table below.
DPRA: Mean peptide depletions of Cysteine, Lysine and both peptides.
|
Cysteine-Peptide |
Lsysine-Peptide |
Mean of both depetions [%] |
||
Mean depletion [%] |
SD [%] |
Mean depletion [%] |
SD [%] |
||
(Methylimino)bispropiononitrile |
2.69 |
1.28 |
1.27 |
0.42 |
1.98 |
PC: EGDMA in ACN |
54.36 |
5.49 |
11.34 |
0.67 |
32.85 |
Based on the observed results and applying the cysteine 1: 10 / lysine 1 :50 prediction model it was concluded that 3,3'-(Methylimino)bispropiononitrile shows minimal or no chemical reactivity in the DPRA under the test conditions chosen.
LuSens:
Experiment 1: The EC 1.50 was calculated by linear regression from the results of the 275 μM and the 330 μM concentrations tobe 315 μM.
Experiment 2: The EC 1.50 was calculated by linear regression from the results of the 475 μM and the 570 μM concentrations tobe 479 μM.
In summary, after 48 hours of exposure to test substance 3,3'(Methylimino)bispropiononitrile luciferase activity in LuSens cells was induced in at least two consecutive concentrations with statistical significance affording at least 70% viability in at least two independent experiments. From this it has to be concluded that test substance 3,3'-(Methylimino)bispropiononitrile has a keratinocyte activating
potential.
h-CLAT:
In summary, after 24 hours of exposure to test substance 3,3'(Methylimino)bispropiononitrile CD86 and CD54 expression was induced in THP-1 cells affording at least 50% viability in at least two independent experiments. From this it has to be concluded that test substance 3,3'-(Methylimino)bispropiononitrile induces dendritic cell activation.
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- Based on the results summarized above, 3,3'-(Methylimino)bispropiononitrile is not peptide reactive, activates keratinocytes and activates dendritic cells. In conclusion, 3,3'-(Methylimino)bispropiononitrile is predicted to be a skin sensitizer.
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