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Diss Factsheets
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EC number: 214-465-4 | CAS number: 1131-60-8
- 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 Toolbox prediction
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017-09-14
- 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:
- Please refer to the documentation attached under 'Attached Justification'.
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- Unnamed
- Year:
- 2 008
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:
- 4-cyclohexylphenol
- EC Number:
- 214-465-4
- EC Name:
- 4-cyclohexylphenol
- Cas Number:
- 1131-60-8
- Molecular formula:
- C12H16O
- IUPAC Name:
- 4-cyclohexylphenol
Constituent 1
- Specific details on test material used for the study:
- SMILES Oc1ccc(cc1)C1CCCCC1
Results and discussion
In vitro / in chemico
Results
- Key result
- Remarks on result:
- no indication of skin sensitisation
- Remarks:
- QSAR prediction: negative
Any other information on results incl. tables
In the profiling no alert referring protein-binding was found for the target and the source chemical. Therefore, they are not likely to bind to proteins and act as a hapten. Accordingly, the source substance was negative in an in vivo test.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- 4-Cyclohexylphenol is not sensitising
- Executive summary:
A read-across was performed by the OECD QSAR Toolbox v. 4.1 using the 'automated workflow'. The target substance was categorised according to "organic functional groups" and "protein binding potency". In addition, structure similarity was used for subclassification. One analogues substance was found (Equol, CAS: 531-95-3). The structure and the log Kow of this source substance is comparable to the target substance. Equol is not sensitising. Therefore, performing read-across applying the "analogue approach" leads to the prediction that 4-Cyclohexylphenol is not sensitising. Due to the fact that only one substance served as a source substance for this prediction, it is outside of the applicability domain of this model. However, this read-across, in combination with the fact that no alerts were identified by the relevant profilers for skin sensitisation, it provides strong evidence that 4 -cyclohexylphenol is not sensitising.
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