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Diss Factsheets
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EC number: 203-118-2 | CAS number: 103-50-4
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- Metabolism was calculated with the OECD QSAR Toolbox Version 3.2
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Metabolism was calculated with the OECD QSAR Toolbox Version 3.2
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: Metabolism was calculated with the OECD QSAR Toolbox Version 3.2
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The metabolism of dibenzyl ether was calculated with the OECD QSAR Toolbox Version 3.2.
- GLP compliance:
- no
Test material
- Reference substance name:
- Dibenzyl ether
- EC Number:
- 203-118-2
- EC Name:
- Dibenzyl ether
- Cas Number:
- 103-50-4
- Molecular formula:
- C14H14O
- IUPAC Name:
- [(benzyloxy)methyl]benzene
- Details on test material:
- not applicable - QSAR
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- other: not applicable - QSAR
- Strain:
- other: not applicable - QSAR
- Sex:
- not specified
Administration / exposure
- Route of administration:
- other: not applicable - QSAR
- Vehicle:
- other: not applicable - QSAR
- Duration and frequency of treatment / exposure:
- not applicable - QSAR
Doses / concentrations
- Remarks:
- Doses / Concentrations:
not applicable - QSAR
- No. of animals per sex per dose / concentration:
- not applicable - QSAR
- Control animals:
- other: not applicable - QSAR
Results and discussion
- Preliminary studies:
- not applicable - QSAR
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- not applicable - QSAR calculation of metabolites
- Details on distribution in tissues:
- not applicable - QSAR calculation of metabolites
- Details on excretion:
- not applicable - QSAR calculation of metabolites
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- The rat liver metabolism simulator of the QSAR toolbox Version 3.2 suggests 5 metabolites. The metabolites have one hydroxylgroup in meta or para position in one or both aromatic rings or two hydroxyl-groups in meta/para-position to the ether bound in one aromatic ring.
The autoxidation and hydrolysis simulator of the QSAR toolbox Version 3. 2 proposes benzyl alcohol, benzaldehyde and benzoic acid as metabolites (structural formula see attached document).
Bioaccessibility (or Bioavailability)
- Bioaccessibility (or Bioavailability) testing results:
- not applicable - QSAR calculation of metabolites
Any other information on results incl. tables
The rat liver metabolism simulator of the QSAR toolbox Version 3.2 suggest 5 metabolites. The metabolites have one hydroxylgroup in meta or para position in one or both aromatic rings or two hydroxyl-groups in meta/para-position to the ether bound in one aromatic ring. The autoxidation and hydrolysis simulator of the QSAR toolbox Version 3. 2 proposes benzaldehyde and benzoic acid and their precursors as metabolites (structural formula see attachted document).
Applicant's summary and conclusion
- Executive summary:
The metabolism of dibenzyl ether was calculated with the OECD QSAR Toolbox Version 3.2. The rat liver metabolism simulator of the QSAR toolbox suggest 5 metabolites. The metabolites have one hydroxylgroup in meta or para position in one or both aromatic rings or two hydroxyl-groups in meta/para-position to the ether bound in one aromatic ring. The autoxidation and hydrolysis simulator of the QSAR toolbox Version 3.2 proposes benzaldehyde and benzoic acid and their precursors as metabolites (structural formula see attachted document).
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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