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EC number: 423-740-1 | CAS number: 10461-98-0
- 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 vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from peer reviewed journal
Data source
Reference
- Reference Type:
- publication
- Title:
- Chemical models for toxic metabolites of bromobenzene derivatives: Relative toxicity toward isolated hepatocytes.
- Author:
- DAVID W. G (YrTSCHALL, RAYMOND R. HARDER~,ROBERT A. WILEY and ROBERT P. HANZLIK
- Year:
- 1 984
- Bibliographic source:
- TOXICOLOGY; 31 (3-4). 1984. 251-260.
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: refer below principle
- Principles of method if other than guideline:
- In Vitro metabolism of Cyclohexenecarbonitrile by using Sprague-Dawley rats cell line
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Cyclohexenecarbonitrile
- EC Number:
- 217-454-2
- EC Name:
- Cyclohexenecarbonitrile
- Cas Number:
- 1855-63-6
- IUPAC Name:
- cyclohex-1-ene-1-carbonitrile
- Test material form:
- other: Liquid
- Details on test material:
- - Name of test material (as cited in study report):Cyclohexenecarbonitrile- Molecular formula (if other than submission substance):C7H9N- Molecular weight (if other than submission substance):107.155- Smiles notation (if other than submission substance):N#CC1=CCCCC1- InChl (if other than submission substance):1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2- Substance type:Organic- Physical state:Liquid
Constituent 1
- Radiolabelling:
- not specified
Test animals
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- not specified
Administration / exposure
- Route of administration:
- other: Incubation
- Vehicle:
- other: 20 μl pentane
- Details on exposure:
- For lower concentrations of the more volatilecompounds (i.e. ≤ 5 mM; compounds Cyclohexenecarbonitrile) the incubation flask was charged with cells, flushed with O2/CO2 mixture, and the appropriate amount of test compound dissolved in 20 μl pentane was applied to a moist piece of filter paper (1 × 3 cm) adhering inside the neck of the flask just prior to capping the flask.
- Duration and frequency of treatment / exposure:
- Once
Doses / concentrations
- Remarks:
- Doses / Concentrations:2-4 mM
- No. of animals per sex per dose / concentration:
- 92-95% of cells
- Control animals:
- not specified
- Statistics:
- No data
Results and discussion
Main ADME results
- Type:
- metabolism
- Results:
- Cyclohexenecarbonitrile shows lower oder of toxicity to hepatecytes were observed.
Toxicokinetic / pharmacokinetic studies
- Details on absorption:
- No data available
- Details on distribution in tissues:
- No data available
- Details on excretion:
- No data available
Metabolite characterisation studies
- Metabolites identified:
- no
- Details on metabolites:
- No data available
Any other information on results incl. tables
EFFECTS OF UNSATURATED COMPOUNDS AND EPOXIDES ON RELEASE OF GPT FROM ISOLATED HEPATOCYTES
Compound | Method ofaddition | Concentration studied (mM) | ECs0 (mM) for GPT release (2 h) |
1 | A | 2 | 12 |
aContained 40-50% benzonitrile impurity
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): low bioaccumulation potential based on study resultsCyclohexenecarbonitrile expected to have Low bio-accumulation potential based on study results.
- Executive summary:
In a in vivo metabolism study,Sprague-Dawley rats cell line were treated withCyclohexenecarbonitriledissolved in a 20 μl pentane was applied to a moist piece of filter paper (1 × 3 cm) adhering inside the neck of the flask just prior to capping the flask.. Cyclohexenecarbonitrileappears toshows loweer oder of toxicity to hepatecytes by low GPT release with half-maximal release of GPT within 2 h as 12 mM as compared to bromobenzene which show 2.4 mM. Which is much lower than Cyclohexenecarbonitrile. Hance, it is clear that neither the presence of a simple Michael acceptor function (Cyclohexenecarbonitrile) nor the presence of a simple epoxide moiety is sufficient to render the molecule a potent toxin.Therefore,Cyclohexenecarbonitrile considered to haveLow bio-accumulation potential based on study results.
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