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EC number: 221-639-3 | CAS number: 3173-53-3
- 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 chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation Assays addressing the Adverse Outcome Pathway key event on covalent binding to proteins)
- Version / remarks:
- Adopted: 30 June 2022
- Qualifier:
- according to guideline
- Guideline:
- other: - DB-ALM Protocol No.154: Direct Peptide Reactivity Assay (DPRA) for Skin Sensitisation Testing, 31 January 2019
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
Test material
- Reference substance name:
- Cyclohexyl isocyanate
- EC Number:
- 221-639-3
- EC Name:
- Cyclohexyl isocyanate
- Cas Number:
- 3173-53-3
- Molecular formula:
- C7H11NO
- IUPAC Name:
- isocyanatocyclohexane
- Test material form:
- liquid
1
In chemico test system
- Details of test system:
- cysteine peptide, (Ac-RFAACAA-COOH)
- lysine peptide (Ac-RFAAKAACOOH)
- Details on the study design:
- Synthetic heptapeptides containing either cysteine or lysine are incubated with the test item at 25 °C for 24 hours. Depletion of the peptide in the reaction mixture is measured by high pressure liquid chromatography (HPLC) using UV detection. Average peptide depletion data for cysteine and lysine are then calculated.
- Vehicle / solvent:
- acetonitrile
- Positive control:
- cinnamic aldehyde
Results and discussion
In vitro / in chemico
Resultsopen allclose all
- Key result
- Group:
- test chemical
- Run / experiment:
- mean
- Parameter:
- lysine depletion
- Value:
- 23.5 %
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Group:
- test chemical
- Run / experiment:
- mean
- Parameter:
- cysteine depletion
- Value:
- 94.5 %
- Negative controls validity:
- valid
- Positive controls validity:
- valid
- Outcome of the prediction model:
- high reactivity [in chemico]
- Other effects / acceptance of results:
- The criteria of quality are in accordance with the OECD TG 442C, In chemico skin sensitization assays addressing the Adverse Outcome Pathway Key Event on Covalent Binding to Proteins, Adopted: 30 June 2022, Appendix I: In Chemico Skin Sensitisation: The Direct Peptide Reactivity Assay (DPRA)
Applicant's summary and conclusion
- Conclusions:
- The test item, Cyclohexyl isocyanate, has been found positive in the DPRA prediction; it was assigned to reactivity class “high reactivity”.
The data generated with this test should be considered in the context of integrated approached such as IATA, combining the result with other complementary information, e.g. derived from in vitro assays addressing other key events of the skin sensitisation AOP. - Executive summary:
The purpose of the test is to contribute to the evaluation of the skin sensitisation potential of Cyclohexyl isocyanate. This study is a part of this test item health hazard evaluation for registration of industrial chemicals.
In the study, Cyclohexyl isocyanate was dissolved in acetonitrile, based on the results of the pre-experiments. The stock solution at concentration 100 mM was prepared based on a molecular weight of 125.17 g/mol.
The test item solutions were tested by incubating the samples with synthetic heptapeptides containing either cysteine or lysine at 25 °C for 24 ± 2 hours. Depletion of the peptide in the reaction mixture was measured by HPLC with UV detection. Average peptide depletion data for cysteine and lysine were calculated. Cinnamaldehyde (100 mM) was used as a positive control and 1-butanol (100 mM) was used as a negative control. Each test chemical was prepared and analysed in triplicate for both peptides.
All study acceptance criteria (see page 16) have been successfully met.
The mean of Cysteine and Lysine percent depletion values is 59.0 %. Based on the obtained results, the prediction model the Cysteine 1:10/Lysine 1:50 was used for evaluation. The test item, Cyclohexyl isocyanate, has been found positive in the DPRA prediction; it was assigned to reactivity class “high reactivity” for both peptides.
The data generated with this test should be considered in the context of integrated approached such as IATA, combining the result with other complementary information, e.g. derived from in vitro assays addressing other key events of the skin sensitisation AOP.
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