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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: - | CAS number: -
- 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 irritation / corrosion
Administrative data
- Endpoint:
- skin irritation / corrosion, other
- Remarks:
- Danish QSAR battery approach for severe skin irritation is applied as well as analysis of CLP data of all constituents according to C&L regulation based on actual analytical information of the constituents in intermediate substance.
- Type of information:
- (Q)SAR
- Remarks:
- Danish QSAR battery approach is applied as well as CLP data based on actual analytical information of the intermediate substance.
- Adequacy of study:
- weight of evidence
- 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:
- All applied DTU QSAR models are documented in QMRFs and include more than 600,000 substances. Battery approach integrtaes all three systems of CASE Ultra, Leadscope, SciQSAR and experimental from training set.
- Justification for type of information:
- The valid Danish QSAR database, Battery model that integrates results from all systems of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR software was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive assesment that cover complete range of known and probable hydrocarbons. In addition, constituents propeties for skin effects were analyzed against criteria in CLP regulation for classification.
Data source
Reference
- Reference Type:
- other: Danish QSAR models and substance analytical information
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The valid Danish QSAR database, Battery model that integrates results from all systems of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual analytical information of the intermediate substance as attached in the analytical information section including GC-MS (and headspace) data as well as C>4 hydrocarbons representative data from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR software was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive assesment that cover complete range of known and probable hydrocarbons. For each constituents in the QSAR database, available ready biodegradability test results according to EU and EPA guidlines are used. The new Danish QSAR data base is a repository of data fro more than 600,000 susbtances. The data include endpoints for physio chemical properties, environmental fate, bioaccumulation, eco-toxicity, absorption, metabolism and toxicity. moreover, all organic constittuents that were pre-registered under REACH are included in the structure. endpoints have been modelled in three software systems Leadscope, CASE Ultra and SciQSAR. All applied models are documented QMRFs. With the battery approach that used here, it is possible to reduce noise from individual model estimates and thereby improve accurace and/or broaden the applicability domain. In addition, GHS properties of all constituents are analyzed against CLP regulation criteria for classification using available ECHA data base.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate
- Molecular formula:
- unknown. explained in remark.
- IUPAC Name:
- Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate
- Test material form:
- liquid
- Details on test material:
- Hydrocarbons from waste rubbers and tires, thermo-mechanical depolymerisation condensate
Constituent 1
Test animals
- Species:
- rabbit
Results and discussion
In vivo
Results
- Irritation parameter:
- overall irritation score
- Remarks:
- Severe skin irritiation in rabbit is determined using Danish QSAR database, Battery model that integrates results from all systems of CASE Ultra, Lead Scope, SciQSAR, and Experimental from training sets for prediction in vivo effect as PSOTIVIE.
- Remarks on result:
- other: Severe skin irritiation in rabbit is determined using Danish QSAR database, Battery model that integrates results from all systems of CASE Ultra, Lead Scope, SciQSAR, and Experimental from training sets for prediction in vivo effect as PSOTIVIE.
- Remarks:
- Battery mode is used for noise reduction and more reliable prediction of in vivo effect that integrates results from all systems of CASE Ultra, Lead Scope, SciQSAR, and Experimental from training sets. Actual substance data are based on detailed analytical information combined with C>4 hydrocarbon representative informaiton to broaden the assesment and consider known and probable hydrocarbons of the intermediate substance.
Applicant's summary and conclusion
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Remarks:
- Results of Danish QSAR battery model combined with GHS data of all constituents from ECHA database are used accoridng to CLP regulation for classification.
- Conclusions:
- Applying Danish QSAR Battery model for severe skin irritation as well as GHS available data of all constituents from ECHA database reveal that No skin corrosive effect was determnied but more than 10% of the intermediate substance can be classified as skin irritiant Category 2. Therefore, combining results of Danish DTU QSAR Battery model as well as applying available CLP data of consituents and CLP criteria, shows that the intermediate substance can be classified as skin irritnat category 2.
- Executive summary:
The valid Danish QSAR database, Battery model that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual analytical information of the intermediate substance, attached in the analytical information section that includes GC-MS (and headspace) data as well as C>4 hydrocarbons from EPI Suite. Due to complex combination of hydrocarbons as UVCB intermediate substance, the input data for Danish QSAR software was actual substance constituents using GC-MS (and headspace) as well as EPI suite available data for C>4 hydrocarbons to provide a comprehensive and reliable assesment that cover complete range of known and probable hydrocarbons. With the battery approach that used here, it is possible to reduce noise from individual model estimates and thereby improve accurace and/or broaden the applicability domain. In addition, available CLP data of all consituents from ECHA database is also used in combination with DTU QSAR for classification according to CLP regulation criteria. No skin corrosive constituents were identified using both methods and only 10% of the constituents identifed as Skin irritant category 2 and therefore, the intermediate substance can be classified as Skin irritant category 2.
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.