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Diss Factsheets
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EC number: 202-708-7 | CAS number: 98-86-2
- 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 vivo
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Study meets generally accepted principles as a study investigating specific pathways of metabolism by excretion of a single metabolite in urine and exhalation of CO2; minor restrictions: qualitative identification of mandelic acid by TLC, less detailed documentation of test methods and test results; study acceptable as weight of evidence study
Data source
Reference
- Reference Type:
- publication
- Title:
- Reaction pathways of in vivo stereoselective conversion of ethylbenzene to mandelic acid
- Author:
- Sullivan HR, Miller WM, McMahon RE
- Year:
- 1 976
- Bibliographic source:
- Xenobiotica 6: 49-54
Materials and methods
- Objective of study:
- metabolism
- Principles of method if other than guideline:
- Excretion of mandelic acid analyzed in urine by preparative TLC after cleavage of conjugates; after dosing with 14C-acetophenone (label at methyl carbon) exhalation of 14CO2 was followed
- GLP compliance:
- no
Test material
- Reference substance name:
- Acetophenone
- EC Number:
- 202-708-7
- EC Name:
- Acetophenone
- Cas Number:
- 98-86-2
- Molecular formula:
- C8H8O
- IUPAC Name:
- 1-phenylethanone
- Details on test material:
- boiling point: 200-202 degrees C
Constituent 1
- Radiolabelling:
- yes
- Remarks:
- 14C at the methyl group
Test animals
- Species:
- rat
- Strain:
- other: Albino
- Sex:
- male
Administration / exposure
- Route of administration:
- intraperitoneal
- Duration and frequency of treatment / exposure:
- single
Doses / concentrations
- Remarks:
- Doses / Concentrations:
100 mg/kg
- No. of animals per sex per dose / concentration:
- 8
- Details on dosing and sampling:
- METABOLITE CHARACTERISATION STUDIES
- Tissues and body fluids sampled: urine
- Time and frequency of sampling: for 24 hrs
- From how many animals: (samples pooled or not) 8
- Method type(s) for identification: isolation of mandelic acid by preparative thin layer chromatography
- Limits of detection and quantification: not specified
TREATMENT FOR CLEAVAGE OF CONJUGATES
Hydrolysis of conjugates by incubation with aryl sulfatase and ß-glucuronidase
OTHER INVESTIGATIONS
Exhalation of 14CO2 was followed for up to 13 hrs.
Results and discussion
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- in urine: mandelic acid;
exhalation of 14CO2 accounted to 10 % during first 4 hrs and to 30 % during 13 hrs post application indicating formation of benzoic acid as further metabolite
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): bioaccumulation potential cannot be judged based on study results
Acetophenone is metabolized to mandelic acid and the formation of benzoic acid is indicated by exhalation of CO2. - Executive summary:
In rats, acetophenone is metabolized to mandelic acid after intraperitoneal injection of 14C-methyl labeled acetophenone (100 mg/kg). The formation of benzoic acid is indicated by exhalation of CO2 (10% during the first 4 hrs and 30% during 13 hrs post application).
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