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EC number: 211-681-0 | CAS number: 685-63-2
- 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 in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 2006
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Partial information, only interim results are available, without a formal report
Data source
Reference
- Reference Type:
- other: interim results
- Title:
- Unnamed
- Year:
- 2 006
- Report date:
- 2006
Materials and methods
- Objective of study:
- metabolism
- Principles of method if other than guideline:
- - Principle of test: assess the in vitro metabolism of hexafluorobutadiene and the presence of glutathione conjugates in rat microsomes and cytosol
- Short description of test conditions: rat or human liver microsomes (1 mg/ml protein) were incubated with 10 mM reduced glutathione, then the gas was bubbled through the mixture. Samples taken at various timepoints and analysed by ESI-LC-MS.
- Parameters analysed / observed: analysis of glutathione conjugates (additiona and/or substitution. - GLP compliance:
- no
Test material
- Reference substance name:
- 1,1,2,3,4,4-hexafluorobuta-1,3-diene
- EC Number:
- 211-681-0
- EC Name:
- 1,1,2,3,4,4-hexafluorobuta-1,3-diene
- Cas Number:
- 685-63-2
- Molecular formula:
- C4F6
- IUPAC Name:
- hexafluorobuta-1,3-diene
- Test material form:
- gas
- Details on test material:
- No details available
1
- Radiolabelling:
- no
Results and discussion
Metabolite characterisation studies
- Metabolites identified:
- no
- Remarks:
- the analysis was not technically feasible
- Details on metabolites:
- Results with hexafluorobutadiene:
3 Peaks were identified on the mass spectra, but full identification of the conjugates was not possible due to impossibility to synthesise the relevant standards.
Any other information on results incl. tables
Theoritical reactions:
- Addition product resulting from reaction of reduced glutathione with hexafluorobutadiene would result in a peak in positive ion spectrum with a mass of 470.
- substitution product resulting from reaction of reduced glutathione with hexafluorobutadiene would result in a peak in positive ion spectrum with a mass of 450.
Results obtained with TFE:
- only 1 addition product was detected with TFE experiment.
- slight glutathione depletion (<10%)
Results obtained with HCBD:
- only 1 main substitution product was detected with HCBD experiment.
- little or no GHS depletion (<5%)
Results obtained with hexafluorobutadiene (HFBD):
- two peaks were detected for the addition reaction. (mono-glutathione conjugates)
- three peaks were detected for the substitution reaction.
Those results were obtained with rat and human liver microsomes, and cytosol.
The nature of the conjugates could not be identified due to technical feasibility (the corresponding standards could not be successfully synthesised and the study was ended).
With regard to formation of glutathione addition and substitution reaction products, there was a greater reactivity with rat liver microsomes compared to rat cytosol and human liver microsomes or cytosol.
There was a greater glutathione depletion with time in mixture containing rat liver microsomes incubated with hexafluorobutadiene (approx 50% decrease after 30 min incubation), compared to the two other chemicals TFE and HCBD (<5% decrease).
Comparatively, the glutathione depletion was more limited in human liver microsomes (approx 20% decrease after 30 min incubation with HFBD).
Applicant's summary and conclusion
- Conclusions:
- These preliminary in vitro data supported the formation of a mixture of addition and substitution products resulting from reactions of hexafluorobutadiene (HFBD) with reduced glutathione in rat liver microsomes. A greater efficiency was found with the rat microsomes compared to cytosolic fraction indicating that the reactions are catalysed mainly by the microsomal glutathione S-transferase.
This was further supported by the time-dependent depletion of reduced glutathione observed in the incubation mixtures, especially with rat liver microsomes incubated in the presence of HFBD.
These results support the hypothesis that hexafluorobutadiene is metabolised in the liver by a conjugation reaction with glutathione (catalysed by hepatic glutathione S-transferase), which is the first step of a complex metabolic pathway previously identified for other fluoroalkenes which ultimately may lead to specific renal toxicity.
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