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EC number: 217-232-5 | CAS number: 1783-81-9
- 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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Eye irritation
Administrative data
- Endpoint:
- eye irritation, other
- Remarks:
- OECD QSAR Toolbox
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Study period:
- 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR Toolbox
2. MODEL (incl. version number)
Toolbox Version 4.3.1 (released February 2019)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles code:
C1C=CC(=CC=1SC)N
CAS-Number:
1783-81-9 (mono constituent)
Chemical name:
3-(methylthio)aniline
Molecular formula:
C7H9NS
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: eye irritation
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Guideline:
- other:
- Version / remarks:
- REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: QSAR Toolbox version 4.3.1
- Model(s) used: QSAR Toolbox
Test material
- Reference substance name:
- 3-(methylthio)aniline
- EC Number:
- 217-232-5
- EC Name:
- 3-(methylthio)aniline
- Cas Number:
- 1783-81-9
- Molecular formula:
- C7H9NS
- IUPAC Name:
- 3-(methylsulfanyl)aniline
- Test material form:
- liquid
Constituent 1
Results and discussion
Any other information on results incl. tables
BfR Category: Structure contains Carbon (C), Nitrogen (N) and Sulphur (S) atoms and log Kow > 1.5.
Profiler based on the BfR rule base for waiving EU C&L for eye irritation/corrosion based on physico-chemical properties shown in the Toolbox (version 4.3.1):
Profiler | result | within applicability domain |
Eye irritation/corrosion Exclusion rules by BfR | Group CNS log Kow > 1.5 Undefined |
yes |
Eye irritation/corrosion Inclusion rules by BfR | Inclusion rules not met | yes |
Result: The target chemical does not match any of the criteria specified in this profiling scheme.
Conclusion: Since the substance contains Carbon, Nitrogen and Sulphur atoms (CNS) and the log Kow is predicted as > 1.5, the substance is NOT R36 (irritating to eyes). Thus no irritating potential to eyes is foreseen based on the physico-chemical properties of the chemical.
Applicant's summary and conclusion
- Executive summary:
Profiler based on the BfR rule base for waiving EU C&L for eye irritants/corrosives) based on physico-chemical properties were shown in the OECD QSAR Toolbox (version 4.3.1; released 2019). According to the BfR Category the structure contains Carbon (C), Nitrogen (N) and Sulphur (S) atoms and a log Kow > 1.5, the substance is NOT R36. Thus no eye irritating potential is foreseen based on the physico-chemical properties of the chemical.
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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