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EC number: 410-190-0 | CAS number: 132983-41-6 MCP 968
- 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:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2011 calculated
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The reliability rating was 2 because the data were calculated.
Data source
Reference
- Reference Type:
- other: computer model
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
- Model:
- other: EPI Suite v4.0 Level III fugacity model
- Calculation programme:
- Level III fugacity model
- Release year:
- 2 009
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- A mixture of isomers of: mono-(2-tetradecyl)naphthalenes; di-(2-tetradecyl)naphthalenes; tri-(2-tetradecyl)naphthalenes
- EC Number:
- 410-190-0
- EC Name:
- A mixture of isomers of: mono-(2-tetradecyl)naphthalenes; di-(2-tetradecyl)naphthalenes; tri-(2-tetradecyl)naphthalenes
- Cas Number:
- 132983-41-6
- Molecular formula:
- Can vary from C24H36 (mono rxn product) to C52H92 (tri rxn product)
- IUPAC Name:
- 2,3,6-tritetradecylnaphthalene; 2,3-ditetradecylnaphthalene; 2-tetradecylnaphthalene
- Details on test material:
- SMILES notation used: CC(C1=CC=C(C(CCCCCCCCCCCC)C)C2=CC=CC=C21)CCCCCCCCCCCC and CC(C1=CC=C(C(CCCCCCCCCCCC)C)C2=CC=C(C(C)CCCCCCCCCCCC)C=C21)CCCCCCCCCCCC
The above SMILES represent possible isomers for the C38H64 and C52H92 components (i.e., major components) comprising the UVCB test substance. These SMILES were used in the Epi-Suite v4.0 calculations.
Also the following values were inputed into the fugacity model:
Water Solubility = <0.001 mg/L Log Kow >10 VP = <3.4 x 10-4 Pa (equiv to 2.54 x10-6 mm Hg, BP =378 C, MP= -25 C
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.038
- Water (%):
- 1.82
- Soil (%):
- 28.1
- Sediment (%):
- 70
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
- Other distribution results:
- The above % distribution was for the C38H64 components
The distribution for the C52H92 component was as follows: 0.024 % air, 1.82% water, 28.0% soil and 70.2% sediment.
Applicant's summary and conclusion
- Conclusions:
- The EPI Suite Level III fugacity model estimates that the test substance will distribute mainly into the sediment compartment (70%), followed by the soil compartment (28%), water compartment (1.82%) and air (<0.037%), based on the calculated values from EPI Suite and SMILES inputs for the major comoponents in the submisison substance. Hence, the distribution/transport Level III fugacity model estimates that the test substance will partition largely mainly into the sediment and soil compartments with very little into water and the least into air.
- Executive summary:
The EPI Suite Level III fugacity model estimates that the test substance will distribute mainly into the sediment compartment (70%), followed by the soil compartment (28%), water compartment (1.82%) and air ( < 0.037%), based on the calculated values from EPI Suite and SMILES input.
Hence, the distribution/transport Level III fugacity model estimates that the test substance will partition largely mainly into the sediment and soil compartments with very little into water and the least into air. This may be due to the fact that test substance has the potential to adsorb to organic matter (high Koc) and not to air and water since it is relatively non-volatile and poorly water soluble.
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