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EC number: 229-493-2 | CAS number: 6574-98-7
- 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
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Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11.10.2017 - 27.10.2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 442C (In Chemico Skin Sensitisation: Direct Peptide Reactivity Assay (DPRA))
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- direct peptide reactivity assay (DPRA)
- Justification for non-LLNA method:
- According to REACH regulation Annex VII, 8.3.2 column 2 an in vivo test (LNNA is preferred) will only be performed, when the in chemico / in vitro
methods according to 8.3.1, column 1 are not applicable for the test substance or the are not convincing.
The correlation of protein reactivity with skin sensitisation potential of a chemical is well established and represents the first and initial key event in the skin sensitisation process as defined by the AOP. It is therefore a crucial step for the sensitising potential of a chemical.
This test method is able to detect chemicals that cause skin sensitisation and allows for hazard identification in accordance with UN GHS “Category 1”.
Test material
- Reference substance name:
- 2,4-dichlorobenzonitrile
- EC Number:
- 229-493-2
- EC Name:
- 2,4-dichlorobenzonitrile
- Cas Number:
- 6574-98-7
- Molecular formula:
- C7H3Cl2N
- IUPAC Name:
- 2,4-dichlorobenzonitrile
- Reference substance name:
- 2,4-dichlorotoluene
- EC Number:
- 202-445-8
- EC Name:
- 2,4-dichlorotoluene
- Cas Number:
- 95-73-8
- Molecular formula:
- C7H6Cl2
- IUPAC Name:
- 2,4-dichloro-1-methylbenzene
- Reference substance name:
- 2,4-dichlorobenzamide
- EC Number:
- 219-505-4
- EC Name:
- 2,4-dichlorobenzamide
- Cas Number:
- 2447-79-2
- Molecular formula:
- C7H5Cl2NO
- IUPAC Name:
- 2,4-dichlorobenzamide
- Reference substance name:
- 2-chlorobenzonitrile
- EC Number:
- 212-836-5
- EC Name:
- 2-chlorobenzonitrile
- Cas Number:
- 873-32-5
- Molecular formula:
- C7H4ClN
- IUPAC Name:
- 2-chlorobenzonitrile
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- water
- Reference substance name:
- unknown
- IUPAC Name:
- unknown
- Test material form:
- solid: bulk
- Details on test material:
- This composition is the usual techical grade of AlzChem AG. It will be used when test substance has this composition (or is very closed) or no specific information is available
Constituent 1
impurity 1
impurity 2
impurity 3
impurity 4
impurity 5
In chemico test system
- Details on the study design:
- HPLC: Agilent, 1200 Series with Chemstation, Rev. B.04.01
Detection: 220 nm (quantification)
258 nm (indicator for co-elution)
Analytical Column: Zorbax SB-C18, 100 mm x 2.1 mm, 3.5 µm
Pre-Column: Phenomenex, AJO-4286, 4.0 x 2.0 mm.
Mobile Phase A: 0.1 % (v/v) trifluoroacetic acid in water
Mobile Phase B: 0.085 % (v/v) trifluoroacetic acid in acetonitrile
Peptides:
Cysteine peptide with an amino acid sequence of Ac-RFAACAA
Lysinepeptide with an amino acid sequence of Ac-RFAAKAA
Positive Control (PC): Cinnamic aldehyde ((2E)-3-phenylprop-2-enal)
Results and discussion
- Positive control results:
- Mean Cys-Peptide Depletion: 75.35 % (SD: 0.40 %; CV: 0.53 %)
Mean Lys-Peptide Depletion: 56.98 % (SD: 1.07 %; CV: 1.87 %)
In vitro / in chemico
Resultsopen allclose all
- Key result
- Run / experiment:
- other: Cysteine Peptide
- Parameter:
- other: Peptide Depetion [%]
- Value:
- 0
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
- Key result
- Run / experiment:
- other: Lysine Peptide
- Parameter:
- other: Peptide Depetion [%]
- Value:
- 0
- Vehicle controls validity:
- valid
- Negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- no indication of skin sensitisation
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- In this study under the given conditions the test item showed minimal reactivity towards both peptides.
The test item is considered as "non-sensitiser". - Executive summary:
Thein chemico direct peptide reactivity assay (DPRA) enables detection of the sensitising potential of a test item by quantifying the reactivity of test chemicals towards synthetic peptides containing either lysine or cysteine.
In the present study 2,4-Dichlorobenzonitrile was dissolved in acetonitrile based on the results of the pre-experiments.
Based on a molecularweight of 172.06 g/mol a 100 mM stock solution was prepared. The test item solutions were tested by incubating the samples with the peptides containing either cysteine or lysine for 24 ± 2 h at 25 ± 2.5 °C. Subsequently samples were analysed by HPLC.
For the 100 mM solution of the test item no turbidity or precipitation was observed when diluted with the cysteine peptide solution. After the 24 h ± 2 h incubation period but prior to the HPLC analysis samples were inspected for precipitation, turbidity or phase separation. No precipitation, turbidity or phase separation was observed for the any samples. Slight precipitation was observed for the samples of the positive control (including the co-elution control of the positive control). Samples were not centrifuged prior to the HPLC analysis-
For the 100 mM solution of the test item no turbidity or precipitation was observed when diluted with the lysine peptide solution.After the 24 h ± 2 h incubation period but prior to the HPLC analysis samples were inspected for precipitation, turbidity or phase separation. No precipitation, turbidity or phase separation was observed for the any samples. Phase separation was observed for the samples of the positive control (excluding the co-elution control of the positive control).Samples were not centrifuged prior to the HPLC analysis.
Since the acceptance criteria for the depletion range of the positive control was fulfilled, the observed precipitations and phase separation were regarded as insignificant.
No co-elution of test item with the peptide peaks was observed. Sensitisingpotential of the test item was predicted from the mean peptide depletion of both analysed peptides (cysteine and lysine) by comparing the peptide concentration of the test item treated samples to the corresponding reference control C (RC Cacetonitrile).
The 100 mM stock solution of the test item showed minimal reactivity towards the synthetic peptides. The mean depletion of both peptides was <= 6.38% (0.44%). Based on the prediction model 1 the test item can be considered as non-sensitiser.
The 100 mM stock solution of the positive control (cinnamic aldehyde) showed high reactivity towards the synthetic peptides. The mean depletion of both peptides was 66.16%.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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