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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
Eye irritation
Administrative data
- Endpoint:
- eye irritation, other
- Remarks:
- QSAR result
- Type of information:
- (Q)SAR
- 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:
- Model result is reliable and recommended OECD principles for QSAR validation have been justified in the prediction report. However no QMRF or QPRF reports are currently available as model output.
- Justification for type of information:
- 1. SOFTWARE
iSafeRabbit models for skin and eye irritation by KREATiS
2. MODEL (incl. version number)
iSafeRabbit Skin Irritation model v1.1
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 prediction report for further information about the how the model fulfills the recommended OECD principles for QSAR validation.
5. APPLICABILITY DOMAIN
Please refer to the section 2.4 of the attached prediction report for further information.
6. ADEQUACY OF THE RESULT
Based on the model input (physicochemical properties), the model will predict the substance as non-irritant, irritant or corrosive provided all the functional groups in the query substance can be reliably predicted by the model. Please refer to the attached prediction report for further information.
Data source
Reference
- Title:
- iSafeRat® HA-QSAR based on a holistic approach for predicting physicochemical and ecotoxicological endpoints
- Author:
- Thomas, P.
- Year:
- 2 015
- Bibliographic source:
- iSafeRat® HA-QSAR toolbox v2.2
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The model determines whether the instilled dose of a chemical substance causes cytotoxicity, thereby responsible for corneal opacity and/or conjunctival redness. The dose applied and the physico-chemical properties of the test substance are the input of a series of algorihtms to determine: the substance concentration in the eye tissue and to establish if this concentration reaches a cytotoxic concentration. This concentration is plotted against the subcooled water solubility of the substance. The plot is subdivided into corrosive, irritant and non-irritant zones. The substance will fall into one of these zones, thereby allowing a classification.
- GLP compliance:
- no
- Remarks:
- QSAR result
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
Results
- Irritation parameter:
- other: non-irritating to the eye
- Remarks on result:
- other: QSAR prediction
Any other information on results incl. tables
Please refer to the section 3 of the attached prediction report for further information.
Applicant's summary and conclusion
- Interpretation of results:
- other: non-irritating to the eye
- Conclusions:
- [cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene was predicted as non-irritant to eyes with iSafeRabbit Skin Irritation/Corrosion model according to Regulation (EC) No. 1272/2008 (CLP) and to GHS.
- Executive summary:
[cyclopenta-2,4-dien-1-ylidene(phenyl)methyl]benzene was provided as input to the iSafeRabbit Eye Irritation model v1.1. Based on the predicted results, the query substance is expected to be non-irritating to eyes according to Regulation (EC) No. 1272/2008 (CLP) and to GHS.
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.