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EC number: 270-109-8 | CAS number: 68411-20-1
- 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
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
- Release year:
- 1 999
- Media:
- other: air-biota-sediment(s)-soil-water-aerosol
Test material
- Reference substance name:
- Butanal, reaction products with aniline
- EC Number:
- 270-109-8
- EC Name:
- Butanal, reaction products with aniline
- Cas Number:
- 68411-20-1
- IUPAC Name:
- aniline; butanal
- Test material form:
- other: not applicable
- Details on test material:
- related to the pure substance
Constituent 1
Study design
- Environmental properties:
- Compartment Volumina (m³) Density (kg/m³) Organic Carbon (%)
Air 6.0 E+09 1.185
Water 7.0 E+06 1000
Soil 4.5 E+04 1500 2
Sediment 2.1 E+04 1300 5
Susp. sediment 3.5 E+01 1500 16.7
Aerosol 1.2 E-01 1500
Aquat. biota 7.0 E+00 1000 5 (lipid content)
Results and discussion
Percent distribution in media
- Air (%):
- 1
- Water (%):
- 0
- Soil (%):
- 49
- Sediment (%):
- 49.6
- Susp. sediment (%):
- 0.32
- Biota (%):
- 0.03
- Aerosol (%):
- 0.001
- Other distribution results:
- Distribution Modelling leads to the following results for main component with 34.5%:
Air 0.88 %
Water 7.8E-07 %
Soil 49.1 %
Sediment 49.6 %
Susp. Sediment 0.32 %
Aquatic biota 0.03 %
Aerosols 6.3E-04 %
Distribution Modelling leads to the following results for main component with 18.0%:
Air 1.0 %
Water 7.8E-07 %
Soil 49.0 %
Sediment 49.6 %
Susp. Sediment 0.3 %
Aquatic biota 0.03 %
Aerosols 7.2E-04 %
Any other information on results incl. tables
Both constituents show a similar distribution pattern in the environment. The overall distribution of the substance (containing several constitutens) is therefore considered as the mean values and presented as results under the point 'Percent distribution in media'.
The results are displayed as a percentage of the substance expected at steady-state in the different environmental media.
In the model Butanal, reaction products with aniline is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.
Applicant's summary and conclusion
- Conclusions:
- The distribution of the test substance in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for the substance is sediment with 49.6 %, followed by Soil with 49.0 %.
- Executive summary:
Evaluating the fate of the test substance in the environment the Fugacity Model Mackay Level I v. 2.11 is used to give a trend tendency of the likely media into which the substance will be distributed.
The simulation of the multimedia model is based on the equilibrium distribution of a fixed quantity of a conserved (i.e. non-reacting) chemical, in a closed environment at equilibrium, with no degrading reactions, no advective processes, and no intermedia transport processes (e.g. no wet deposition, or sedimentation). The chemical is assumed to become instantaneously distributed to an equilibrium condition (Mackay, D.: Multimedia Environmental Models, The Fugacity Approach, Lewis Publishers, Inc. Chelsea, Michigan, 1999).
In the model Butanal, reaction products with aniline is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.
Since the substance is a multi-constituent substance, calculations with the molecular weight of the two main components (34.5% and 18.0%) are performed. The other needed physic-chemical properties are the substance itself. Both components show a similar distribution pattern in the environment. The overall distribution of the substance (containing several constitutens) is therefore considered as the mean values. The main target compartment for the substance is sediment with 49.6 %, followed by Soil with 49.0 %.
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