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Diss Factsheets
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EC number: 218-533-4 | CAS number: 2175-90-8
- 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 prediction based on structural alert system applied using Nexus DEREK v6.0.1
- Type of information:
- (Q)SAR
- Remarks:
- Structural alert system using Nexus DEREK v6.0.1
- Adequacy of study:
- key study
- Study period:
- 03-May-2018
- 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
- Remarks:
- Prediction report and QMRF are available. However, no QPRF was generated as model output.
- Justification for type of information:
- 1. SOFTWARE
Nexus DEREK
2. MODEL (incl. version number)
Nexus DEREK v6.0.1
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=CC=C3
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the attached QMRF of this model for further information about how the model satisfies the five recommended OECD principles for QSARs.
5. APPLICABILITY DOMAIN
Please refer to the attached QMRF of this model for further information about the model's applicability domain (based on structural alerts)
6. ADEQUACY OF THE RESULT
If no structural alerts are triggered and if no misclassified features were identified in the chemical structure, the query substance can be considered as non-sensitising to the skin.
Data source
Reference
- Reference Type:
- publication
- Title:
- In silico tools for sharing data and knowledge on toxicity and metabolism: Derek for Windows, Meteor, and Vitic.
- Author:
- Marchant CA, Briggs KA & Long A
- Year:
- 2 003
- Bibliographic source:
- Toxicology Mechanisms and Methods 18, 177–187
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- DEREK predicts the skin sensitisation potential of a substance based on the triggered structural alerts for this endpoint. If the substance is a sensitiser, DEREK provides the EC3 value. The attached prediction report generated with this tool also provides detailed information about each triggered alert.
- GLP compliance:
- no
- Remarks:
- QSAR prediction
Test material
- Reference substance name:
- [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene
- Cas Number:
- 2175-90-8
- IUPAC Name:
- [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene
Constituent 1
Results and discussion
In vivo (LLNA)
Results
- Parameter:
- other: Non-sensitising in mammal
- Remarks on result:
- no indication of skin sensitisation based on QSAR/QSPR prediction
Any other information on results incl. tables
The query structure did not match any structural alerts for skin sensitisation with Nexus DEREK therefore it was predicted as Non-sensitiser in mammal. Please refer to the attached prediction for the reasoning summary for this endpoint result.
Applicant's summary and conclusion
- Interpretation of results:
- other: Non-sensitising to the skin
- Remarks:
- QSAR prediction based on structural alerts
- Conclusions:
- [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene did not match any structural alerts for skin sensitisation with Nexus DEREK therefore it was predicted as Non-sensitiser in mammal.
- Executive summary:
[cyclopenta-2,4 -dien-1 -ylidene(phenyl)methyl]benzene did not match any structural alerts for skin sensitisation with Nexus DEREK therefore it was predicted as Non-sensitiser in mammal.
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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