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Diss Factsheets
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EC number: 859-869-7 | CAS number: 201419-80-9
- 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
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- QSAR moderate reliable
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- no
- Details on the study design:
- Computational tool: Leadscope
Skin sensitization potential for the target 2,4,8,10-Tetraoxa-3,9-dithiaspiro[5.5]undecane, 3,3,9,9-tetraoxide
was estimated by (Q)SAR methodology employing a battery of models, including Leadscope,
ChemTunes/ToxGPS, Topkat and Vega. Following a detailed assessment of the generated QSAR
predictions, the most reliable prediction was provided by Leadscope/skin sensitization suite.
Leadscope model for skin sensitization (Skin sensitization Suite/LLNA QSAR Categorical) estimates the
probability that a compound will result positive in the experimental LLNA assay on mouse. Leadscope
prediction is based on a battery of three in silico models computing the ECETOC category (extreme/strong,
moderate, weak and non-sensitizers) (ECETOC, 2003). The three QSARs were built for the following binary
endpoints: (1) LLNA High: 1 for all extreme/strong potency category, 0 for all other categories; (2) LLNA
Moderate: 1 for all potency categories ≥ moderate, 0 for all other categories; (3) LLNA Weak: 1 for all
potency categories ≥ weak, 0 for non-sensitizers. An overall potency category is then computed. - Key result
- Parameter:
- other: Skin sensitisation prediction
- Remarks:
- QSAR
- Vehicle controls validity:
- not specified
- Negative controls validity:
- not specified
- Positive controls validity:
- not specified
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- SENSITIZER (Moderate), based on positive call for LLNA Moderate model (positive prediction probability equal to 0.966), corresponding to 1% ≤ EC3 < 10% (ECETOC category) and category 1 (CLP). It is classified as Skin Sens 1. H317
- Executive summary:
It is moderate skin sensitiser. It is classified as Skin Sens 1. H317
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
It is classifed as Skin Sens 1 category: H317
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
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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