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EC number: 245-082-0 | CAS number: 22564-43-8
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018-01-12
- 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:
- please refer to 'Attached justification'
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- skin sensitisation, other
- Remarks:
- Indicative Assessment of Skin Sensitisation
- Type of information:
- other: Expert statement
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: No GLP-conform guideline study, but scientifically valid expert statement based i.e. on studies assessed with Klimisch 1 or 2
- Justification for type of information:
- This assessment is provided in addition to the QSAR data to substantiate the conclusion that conduction of further tests will not be required as the available data does not point to a relevant skin sensitization potential in vivo.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Assessment of available physico-chemical, QSAR prediction and toxicological data
- GLP compliance:
- no
- Type of study:
- other: Indicative Assessment of Skin Sensitisation based on available data (physico-chemical, QSAR prediction and toxicological)
- Key result
- Remarks on result:
- other: see "Overall remarks, attachments"
- Interpretation of results:
- other: data not sufficient for classification
- Conclusions:
- The results of the profiling provide weight-of-evidence that toluzonchlorid (CAS 22564-43-8) is skin sensitizing. The profiling results reveal protein-binding via nucleophilic substitution by the alkyl halide as the main mode of action.
- Executive summary:
This indicative assessment of skin sensitizing properties is based on physico-chemical, toxicological, and in silico data. Experimental studies have not been performed for this endpoint. The results of the profiling provide weight-of-evidence that toluzonchlorid (CAS 22564-43-8) is skin sensitizing. The profiling results reveal protein-binding via nucleophilic substitution by the alkyl halide as the main mode of action.
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- OECD QSAR Toolbox version 4.1
- Author:
- OECD
- Year:
- 2 008
- Bibliographic source:
- The Toolbox is a software for filling gaps in (eco)toxicity data. The Toolbox incorporates information and tools from various sources into a logical workflow. Crucial to this workflow is grouping chemicals into chemical categories.
Materials and methods
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: OECD QSAR Toolbox version 4.1
- Model(s) used: automated workflow for the prediction of skin sensitisation (read-across model)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
Test material
- Reference substance name:
- N-(2-chloroethyl)-N-ethylaniline
- EC Number:
- 245-082-0
- EC Name:
- N-(2-chloroethyl)-N-ethylaniline
- Cas Number:
- 22564-43-8
- Molecular formula:
- C11H16ClN
- IUPAC Name:
- N-(2-chloroethyl)-N-ethylaniline
1
Results and discussion
In vivo (LLNA)
Results
- Key result
- Remarks on result:
- positive indication of skin sensitisation based on QSAR/QSPR prediction
Any other information on results incl. tables
The profiling results reveal protein-binding via nucleophilic substitution by the alkyl halide as the main mode of action.
Applicant's summary and conclusion
- Interpretation of results:
- other: data not sufficient for classification
- Conclusions:
- The results of the profiling, as well as the read-across performed by the OECD QSAR Toolbox v4.1 provide weight-of-evidence that toluzonchlorid (CAS 22564-43-8) is skin sensitizing.
- Executive summary:
Skin sensitisation of toluzonchlorid (CAS 22564-43-8) was predicted using the automated workflow of the OECD QSAR Toolbox v4.1. The prediction for the target substance was 'positive'. The prediction lies within the applicability domain of this model.
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.
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