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EC number: 210-694-9 | CAS number: 621-59-0
- 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
- Study period:
- 1974.
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
Data source
Reference
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 1 975
- Report date:
- 1974
Materials and methods
- Objective of study:
- excretion
- metabolism
Test guideline
- Qualifier:
- no guideline available
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-hydroxy-p-anisaldehyde
- EC Number:
- 210-694-9
- EC Name:
- 3-hydroxy-p-anisaldehyde
- Cas Number:
- 621-59-0
- Molecular formula:
- C8H8O3
- IUPAC Name:
- 3-hydroxy-4-methoxybenzaldehyde
- Test material form:
- solid
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- rabbit
- Strain:
- other: albino
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- - Weight range: 200-350g (250g for quantitative experiments).
- Diet: commercial pellet diet (Vestlandske Kjøpelag, Bergen) and switched to a purified diet consisting of sucrose, casein, soya oil, salts and vitamins (Scheline, 1968) 2 days before administration of the test compounds. Diet and water were given ad libitum.
Administration / exposure
- Route of administration:
- oral: gavage
- Vehicle:
- propylene glycol
- Remarks:
- or water.
- Details on exposure:
- The test compounds were administered by stomach tube as a suspension in water for qualitative experiments, by stomach tube in a solution of propylene glycol-water (1: 1, 1ml) for quantitative experiments, and by intraperitoneal injection in a solution of propylene glycol-water (1 : 1, 0.5 ml).
- Duration and frequency of treatment / exposure:
- Single dose administration.
Doses / concentrations
- Dose / conc.:
- 100 mg/kg bw/day (nominal)
- No. of animals per sex per dose / concentration:
- 12-19 males, same dose (see Table 1 in results).
- Control animals:
- no
- Details on study design:
- Urinary excretion was studied in rats receiving oral doses of 100mg/kg of isovanillin, and biliary excretion was studied in rats receiving intraperitoneal doses of 100mg/kg of these compounds.
The daily urine samples, after thawing and filtering, were diluted with water to 20 ml and divided into two equal portions. These were either used at once or stored at -20ºC until required.
Three procedures were used: (1) giving free and conjugated fractions, (2) giving a total fraction, (3) giving total acidic and phenolic fractions. The degree of recovery of the metabolites in comparison with that of the internal standard homoveratric acid when employing the appropriate extraction method was assessed. The various metabolites in the range 1-8 mg were added to control urines containing internal standard. - Details on dosing and sampling:
- METABOLITE CHARACTERISATION STUDIES
- Tissues and body fluids sampled: Urine and faeces were collected separately for 24h periods in containers maintained at <0ºC. Bile samples were collected for periods of up to 24h by inserting a thin plastic tube in the common bile duct as described previously (Scheline, 1968), except that the samples were collected at room temperature and that no food was given during the collection period. For quantitative experiments, bile collected for 5h was used, according to method (2).
- Method type(s) for identification: TLC, GLC and combined GLC-mass spectrometry.
Results and discussion
Main ADME resultsopen allclose all
- Type:
- metabolism
- Results:
- This study of the metabolism of vanillin and isovanillin in vivo in rats demonstrates that these aromatic aldehydes undergo two primary pathways of transformation, oxidation and reduction. The dominating pathway is the oxidative.
- Type:
- excretion
- Results:
- Rapid excretion via urine: 89% after 48h, most metabolites within the first 24h.
Toxicokinetic / pharmacokinetic studies
- Details on excretion:
- Most metabolites were excreted by urine within 24 h, and after 48 h, 89% of the dose of isovanillin was accounted for. Glucuronides of the aldehyde and their respective alcohol and acid derivatives are excreted in the bile (mainly during the first 3h after intraperitoneal dosing), and the conjugates are metabolized by the intestinal bacteria to toluene derivatives and decarboxylated products.
Metabolite characterisation studies
- Metabolites identified:
- yes
- Details on metabolites:
- After 48h: isovanillin (19%), isovanillyl alcohol (10%), isovanillic acid (22%), vanillic acid (11%), isovanilloylglycine (19%), catechol (7%) and 4-methylcatechol (1%). Protocatechuic acid was also formed (it could not be quantitated).
Any other information on results incl. tables
Table 1. Urinary excretion of isovanillin and metabolites in rats: urine collected for 48h after oral administration of 25mg (approx.. 100mg/kg) isovanillin/animal. Results are mean values, as % dose, ± S.D. with numbers of animals in parentheses.
Metabolite |
Extraction method 2, TMS derivatives |
Extraction method 2, diazomethane-treated |
Approximate mean excretion values (%) |
Isovanillin |
Not determined |
18.7 ± 3.5 (18) |
19 |
Isovanillyl alcohol |
11.8 ± 3.0 (17)
|
8.8 ± 2.2 (18) |
10 |
Isovanillic acid
|
15.9 ± 2.4 (17)
|
27.0 ± 6.6 (19) |
22 |
Vanillic acid
|
9.0 ± 3.4 (17)
|
12.0 ± 2.8 (19) |
11 |
Isovanilloylglycine
|
Not determined. |
19.0 ± 4.4 (19) |
19 |
Catechol
|
6.7 ± 2.8 (12)
|
Not determined |
7 |
4-methylcatechol |
1.4 ± 0.6 (14)
|
Not determined |
1 |
|
|
|
Total = 89 |
Applicant's summary and conclusion
- Conclusions:
- 48h after oral administration, 89% of the administered test item had been excreted from urine, in the form of isovanillin (19%), isovanillyl alcohol (10%), isovanillic acid (22%), vanillic acid (11%), isovanilloylglycine (19%), catechol (7%), 4-methylcatechol (1%) and protocatechuic acid (it could not be quantitated). Therefore, the test item undergoes rapid elimination. Based on the available data, the test item shows no potential for bioaccumulation.
- Executive summary:
The metabolism of orally administered isovanillin was studied in rats, following basic scientific principles (no GLP). The test item was administered to male albino rats by gavage, at a dose of 100 mg/kg bw. Urine and faeces were examined after 24h periods. Under test conditions, 89% of the administered isovanillin had been excreted from urine after 48h, in the form of isovanillin (19%), isovanillyl alcohol (10%), isovanillic acid (22%), vanillic acid (11%), isovanilloylglycine (19%), catechol (7%), 4-methylcatechol (1%) and protocatechuic acid (it could not be quantitated). Most of the metabolites were excreted during the first 24h. Therefore, the test item undergoes rapid elimination. Based on the available data, the test item shows no potential for bioaccumulation.
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