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Diss Factsheets
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EC number: 210-259-3 | CAS number: 611-20-1
- 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
Endpoint summary
Administrative data
Link to relevant study record(s)
- Endpoint:
- basic toxicokinetics in vitro / ex vivo
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: In vitro study on 6 test substances (nitriles), published in a peer-reviewed journal, according to scientific standards. Experimental details well documented, but no individual analytical data on 2-cyanophenol presented. Negative result.
- Objective of study:
- metabolism
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The test substance (4 mM) was incubated with liver microsomes from phenobarbital-induced rats with an NADPH-generating system, at 37°C for 30 min., quenched with ethanol, filtered and analyzed for metabolites with HPLC and TLC.
- GLP compliance:
- no
- Radiolabelling:
- no
- Species:
- rat
- Strain:
- Sprague-Dawley
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Animals were used only as donors of liver subcellular fractions, in particular microsomes, after phenobarbital induction
- Actual metabolic testing was then performed in vitro
- Age at study initiation: no data
- Weight at study initiation: 210 - 220g
- Fasting period before study: overnight before sacrifice
- Water: 0.1% w/v sodium phenobarbital solution in water, ad libitum, in place of drinking water
- Induction period: 5 days
PREPARATION OF LIVER SUBCELLULAR FRACTIONS
- Four rats killed by decapitation
- Livers excised and rinsed with 0.15 M KCl buffer, then homogenized in 0.15 M KCl buffer
- Homogenate centrifuged at 600g for 20 minutes (to remove the nuclear pellet)
- 600g supernatant centrifuged at 9000g for 20 minutes (to remove the mitochondrial pellet)
- 9000g supernatant centrifuged at 105000g for 60 minutes (to obtain the microsomal pellet) - Route of administration:
- oral: drinking water
- Vehicle:
- water
- Details on dosing and sampling:
- METABOLITE CHARACTERISATION STUDY
- Metabolism of test substance studied in vitro, upon addition of phenobarbital-induced rat liver microsomes
- Test substance (final concentration 4 mM) dissolved in 5% ethanol before addition into the incubation flask
- Microsomes: final protein concentration 6.7 mg protein / mL
- From how many animals: microsomes from 4 rats (pooled)
- NADPH-generating system: 2.5 mM glucose 6-phosphate, 2 mM NADP, 4 mM MgCl2, 5 units glucose 6-phosphate per 200 mg (w/w) microsomes
- Buffer: 0.1 M potassium phosphate, pH 7.4
- Aerobic incubation (by leaving the vessel open)
- Controls: treated in the same way as the samples, except that liver microsomes were boiled for 5-10 min prior to use
- Incubation temperature: 37°C
- Incubation time: 30 min in a shaking waterbath
- Termination of incubation: addition of an equal volume of ethanol, followed by freezing on dry ice
- Filtering of the quenched incubation mixtures, evaporation of filtrate
- Trituration of precipitate with methanol, or extraction of aqueous phase with ethyl acetate, and reconstitution of evaporation residue with methanol
- Method type(s) for identification (HPLC-UV (254 nm), TLC)
- HPLC conditions: isocratic elution with methanol / acetic acid / water (60:20:20, v/v)
- TLC conditions: 20x20 silica-gel GF 250 analytical plates, CH2Cl2 (90:10 v/v)
- Limits of detection and quantification: no data
TREATMENT FOR CLEAVAGE OF CONJUGATES (if applicable): - Type:
- metabolism
- Results:
- No evidence of metabolites in an incubation of 2-cyanophenol with rat liver microsomes
- Metabolites identified:
- no
- Details on metabolites:
- No evidence of metabolites in an incubation of 2-cyanophenol with rat liver microsomes was detectable with the analytical tools described, TLC and HPLC. In a parallel experiment, metabolism of 4-cyanophenol was studied under the same conditions, and formation of 3,4-dihydroxybenzonitrile was seen as a prominent HPLC peak not present in the control. This peak was identified by comparison of the HPLC retention time with an authentic reference, as well as by TLC. It is not clear why the metabolism of 2-cyanophenol is different from that of 4-cyanophenol.
- Conclusions:
- In vitro study suitable for use as supporting information. No metabolism observed under the conditions of the test.
Reference
Description of key information
Short description of key information on bioaccumulation potential result:
Metabolism in vitro, rat microsomes: no metabolism detectable
Key value for chemical safety assessment
Additional information
No evidence of metabolites was detected in an aerobic incubation of 2-cyanophenol with phenobarbital-induced rat liver microsomes, in the presence of an NADPH-generation system, for 30 minutes at 37°C. This finding is in contrast to 4-cyanophenol, which was metabolized to 3,4-dihydroxybenzonitrile under the same conditions. The reason for this difference remains unclear. No in vivo metabolism data was available.
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