Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Remarks:
- Danish QSAR database, Battery model for Ames test that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons representative data from EPI Suite.
- 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 (QSAR model reporting format) as indicated in the DTU and EU website
- Justification for type of information:
- The valid Danish QSAR database, Battery model for Ames test (Bacterial reverse mutation test in S.typhimurium in vitro) that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied. Due to combination of hydrocarbons in UVCB intermediate substance, the input data for Danish QSAR software is 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 covers complete range of known and probable hydrocarbons.
Data source
Reference
- Reference Type:
- other: Danish QSAR models and susbtance analytical information
- Title:
- Unnamed
- Year:
- 2 017
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- Danish QSAR database, Battery model for Ames test that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons representative data from EPI Suite.
- Deviations:
- not applicable
- Remarks:
- Danish QSAR database, Battery model for Ames test that integrates results from all models of CASE Ultra, Lead Scope, SciQSAR, Experimental is applied using actual GC-MS (and headspace) data as well as C>4 hydrocarbons representative data from EPI Suite.
- Principles of method if other than guideline:
- The valid Danish QSAR database, Battery model for Ames test ( Bacterial reverse mutation test in S.typhimurium in vitro) that integrates results from all models 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 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. 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.
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
Results and discussion
Test results
- Key result
- Species / strain:
- S. typhimurium, other: as detailed in the attached documents of Danish QSAR database.
- Remarks:
- Battery mode combining all three systems of CASE Ultra, Leadscope,SciQSAR and experimental or Ames test S.typhimurium in vitro
- Additional information on results:
- Danish QSAR Battery approach (combining CASE Ultra, Leadscope, SciQSAR, Experimental) using actual GC/MS data and C>4 hydrocarbons data from EPI suite. The model revealed no positive result for Bacterial reverse mutation test.
- Remarks on result:
- mutagenic potential (based on QSAR/QSPR prediction)
- Remarks:
- Battery mode is used for noise reduction and more reliable mutagenic potential 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
- Conclusions:
- By applying Danish QSAR Battery model for Ames test (combining all systems), there is no positive results for constituents of the intermediate UVCB substance.
- Executive summary:
The valid Danish QSAR database, Battery model for Ames test ( Bacterial reverse mutation test) 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 assesment that covers 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. The model predicts positive results in applicability domain. Therefore, none of the constituents were determined positive in Ames test.
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.