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EC number: 209-691-5 | CAS number: 590-86-3
- 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:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable, well-documented publication which meets basic scientific principles
Data source
Reference
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 1 981
- Report date:
- 1981
Materials and methods
- Objective of study:
- metabolism
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Plasma samples were taken after sarifice of test animals fed with various diets and 3-methylbutanal levels were analyzed using a capillary column GC-FID method. In addition, the effect of neomycin on plasma 3-methylbutanal levels and the influence of 3-methylbutanal on central nervous system function and neurotransmitter metabolism was investigated.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Isovaleraldehyde
- EC Number:
- 209-691-5
- EC Name:
- Isovaleraldehyde
- Cas Number:
- 590-86-3
- Molecular formula:
- C5H10O
- IUPAC Name:
- 3-methylbutanal
- Details on test material:
- - Name of test material (as cited in study report): 3-methylbutanal (obtained from Aldrich Chemicals Co Inc., Milwaukee, WI, USA)
- Analytical purity: no data
- no further information on test substance
Constituent 1
- Radiolabelling:
- no
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Canadian Breeding Laboratories, Montreal,Quebec, Canada
- Age at study initiation: young and adult rats
- Weight at study initiation: young rats: 205 ± 0.5 g (n=10); adult rats: 416 ± 5.6 g (n=8)
- Fasting period before study: no data
- Housing: individually in wire meshed galvanized cages
- Individual metabolism cages: no
- Diet (e.g. ad libitum): prior to feeding experiment: Purina rat chow, Ralston Purtina of Canada, Woodstock, Ontario, Canada, ad libitum;
experimental diet: purified test diet containing 20% casein supplemented with either 5% leucine and/or 0.1% neomycin, ad libitum
- Water (e.g. ad libitum): fresh water, ad libitum
- Acclimation period: 1 week
ENVIRONMENTAL CONDITIONS
- Temperature (°C): ca. 23°C
- Humidity (%): no data
- Air changes (per hr): no data
- Photoperiod (hrs dark / hrs light): 12 / 12 (8:00 - 20:00 light)
Administration / exposure
- Route of administration:
- intraperitoneal
- Vehicle:
- unchanged (no vehicle)
- Details on exposure:
- Four different sets of experiments were performed. In all studies, plasma levels of 3-methylbutanal were analyzed.
1. injection study; young rats (n=8)
2. feeding study; young rats (205 g, n=10)
a) casein control diet
b) high leucine diet (5% leucine)
3. feeding study; adult rats (416 g, n=8)
a) casein control diet
b) high leucine diet (5% leucine)
4. feeding study (diet +/- Neomycin); young rats (209 g, n=8)
a) Casein control diet
Casein control + Neomycin diet
b) high leucine diet
high leucine + Neomycin diet - Duration and frequency of treatment / exposure:
- Injection study: single ip injection; sacrifice after 9 min
Feeding studies: Diet and additional leucine but no test substance were administered; exposure period: young rats: 1 week, adult rats: 2 weeks
Doses / concentrations
- Remarks:
- Doses / Concentrations:
Injection study: 30, 60, and 160 mg/kg bw
feeding study: no 3-methylbutanal administered
- No. of animals per sex per dose / concentration:
- injection study: 8
feeding studies: 8 - 10 - Control animals:
- no
- Details on dosing and sampling:
- METABOLIC/PHARMACOKINETIC STUDY
- Tissues and body fluids sampled: plasma
- Time and frequency of sampling: at the end of each experiment
- Method type(s) for identification: GC-FID - Statistics:
- Correlation analysis and Student's t-test were conducted as appropriate. A multiple comparison test, with an estimate of the pooled variance was also used to analyze the data.
Results and discussion
Any other information on results incl. tables
Plasma 3-methylbutanal (isovaleraldehyde) and leucine levels
Method |
Diet / |
3-Methylbutanal |
Leucine |
feeding study; young rats (exposure period 1 week) |
casein control diet |
0.293 ± 0.050 |
294* |
high-leucine diet |
1.377 ± 0.343** |
430* |
|
feeding study; adult rats (exposure period 2 weeks) |
casein control diet |
0.346 ± 2.60 |
189 ± 11 |
high- leucine diet |
0.711 ± 0.097** |
289 ± 28** |
|
feeding study (-/+ neomycin); young rats |
casein control diet |
0.464 ± 0.097 |
264 ± 41 |
casein control diet + Neomycine |
0.500 ± 0.137 |
262* |
|
high-leucine diet |
1.142 ± 0.251** |
372 ± 26 |
|
high-leucine diet+ Neomycine |
0.436 ± 0.068 |
360* |
|
injection study (sampling 9 min after injection) |
0 |
0.090 |
- |
30 |
0.877 |
- |
|
60 |
1.260 |
- |
|
120 |
2.160 |
- |
* pooled analyses ** significantly greater than controls (P< 0.05)
3-Methylbutanal (isovaleraldehyde) is present in the plasma of normal rats indicating that it originates naturally from metabolic processes. The mean isovaleraldehyde level in normal rat plasma (0.46 ± 0.1 mg/L, 5.3 ± 1.2 µmol/L) corresponds to levels found in normal man (0.58 ± 0.22 mg/L (6.7 ± 2.6 µmol/L); Goldberg et al, 1979, Model Simulations 10, 167-173).
The increased isovaleraldehyde plasma levels observed with high-leucine diets and their correlation with plasma leucine levels suggest that plasma isovaleraldehyde is derived from leucine. But there is no information if leucine is the only source of isovaleraldehyde in plasma.
Reduction of plasma isovaleraldehyde levels after administration of high-leucine diet and Neomycine indicates that gut bacteria are at least partly involved in the formation of isovaleraldehyde. Again further evidence is lacking if isovaleraldehyde is in addition produced endogenously by mammalian tissues or if it is formed entirely from gut bacteria.
Applicant's summary and conclusion
- Conclusions:
- Isovaleraldehyde is naturally present in the plasma of rats and humans at levels of ca. 0.5 to 0.6 mg/L (6 to 7 µmol/L). It is formed at least partly from leucine by gut bacteria. Further information is not available if there are other sources and if isovaleraldehyde is additionally produced endogenously by mammalian cells/tissues.
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