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Diss Factsheets
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EC number: 202-297-4 | CAS number: 94-04-2
- 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
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:
- other: Reliability of 2 because data were obtained by modeling using an acceptable validated QSAR modelling package.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 000
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- U.S. E. P. A. on-line modeling program, EPIWIN ver. 3.20.
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Vinyl 2-ethylhexanoate
- EC Number:
- 202-297-4
- EC Name:
- Vinyl 2-ethylhexanoate
- Cas Number:
- 94-04-2
- Molecular formula:
- C10H18O2
- IUPAC Name:
- ethenyl 2-ethylhexanoate
- Details on test material:
- As per Vinyl Neodeconate O.E.C.D. IUCLID 4 Data Set
Constituent 1
Study design
- Test substance input data:
- Input values included: SMILES notation,
Results and discussion
Percent distribution in media
- Air (%):
- 5
- Water (%):
- 39.1
- Soil (%):
- 55.6
- Sediment (%):
- 0.3
Any other information on results incl. tables
Estimation from the EQC fugacity level III model is provided using three separate emission scenarios: 1) equal emissions with continuous 1000 kg/hr releases to each compartment (air, water and soil), 2) 1000 kg/hr release to air compartment only and, 3) 1000 kg/hr release to water compartment only. These three scenarios would help to estimate in which environmental compartments the substance partitions when the substance is rejected to each of the compartments independently.
1)
Equal emissions with continuous 1000 kg/hr releases to each compartment
(air, water and soil):
Mass
Amount Half-Life
Emissions
(percent)
(hr)
(kg/hr)
Air 5
7.4 1000
Water
39.1
208
1000
Soil
55.6
416
1000
Sedimen 0.305 1.87e+003 0
Persistence
Time: 129 hr
2)
1000 kg/hr release to air compartment only:
Air 1000 kg/hr
Mass
Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 99.1 7.48 1000
Water 0.464 208 0
Soil 0.398 416 0
Sediment 0.00361 1.87e+003 0
Persistence
Time: 9.83 hr
3) 1000 kg/hr release to water compartment only:
Water 1000 kg/hr
Mass
Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.22 7.48 0
Water 97 208 1000
Soil 0.756 1.87e+003 0
Sediment 64.3 8.1e+003 0
Persistence
Time: 675 hr
Applicant's summary and conclusion
- Conclusions:
- MacKay Level III modeling suggested that the half-life of Vinyl 2-ethylhexanoate in water was approximately 208 hours. Further MacKay modeling found that if released equally to the environmental compartments, approximately 55.6% of Vinyl 2-ethylhexanoate will transition to soil, 39% to water and 5% to air. If released solely to air, 99.1% of Vinyl 2-ethylhexanoate will remain in the atmosphere. When released to the water compartment, 97% of the Vinyl 2-ethylhexanoate will remain in the water.
- Executive summary:
MacKay Level III modeling suggested that the half-life of Vinyl2-ethylhexanoatein water was approximately 208 hours. Further MacKay modeling found that if released equally to the environmental compartments, approximately 55.6% of Vinyl2-ethylhexanoatewill transition to soil, 39% to water and 5% to air. If released solely to air, 99.1% of Vinyl2-ethylhexanoatewill remain in the atmosphere. When released to the water compartment, 97% of the Vinyl2-ethylhexanoatewill remain in the water.
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