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EC number: 700-213-5 | CAS number: 947753-66-4
- 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:
- supporting study
- Study period:
- 22-November 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data were generated using a recognized computer model program.
Data source
Reference
- Reference Type:
- other: Computer model program output
- Title:
- EPIWIN STP Fugacity Model, Level III
- Author:
- US EPA
- Year:
- 2 009
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPIWIN STP Fugacity Model, Level III
- Release year:
- 2 008
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 2-ethylhexyl (2E)-2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate; 2-ethylhexyl (2Z)-2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
- EC Number:
- 700-213-5
- Cas Number:
- 947753-66-4
- Molecular formula:
- C25H29N03
- IUPAC Name:
- 2-ethylhexyl (2E)-2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate; 2-ethylhexyl (2Z)-2-cyano-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
- Reference substance name:
- Ethyl hexyl methoxycrylene
- IUPAC Name:
- Ethyl hexyl methoxycrylene
- Details on test material:
- No details. Test material information inputted to model program was the SMILES code: c2cc(OC)ccc2C(c1ccccc1)=C(C(#N))C(=O)OCC(CC)CCCC
Constituent 1
Constituent 2
Study design
- Test substance input data:
- - Molar mass: 391.51
- Data temperature: 25 deg C
- Water solubility: 0.0391 mg/l
- Vapour pressure: 0.00266645 Pa
- Soil Koc 2.12e+005
- log Pow: 6.2
- Melting point: 2 Deg C
- Reaction half-life estimates for
- Air: 4.965 hr
- Water: 900 hr
- Soil: 1800 hr
- Sediment: 8100
- Biowin estimate: 2.654 (weeks-months)
Results and discussion
Percent distribution in media
- Air (%):
- 0.15
- Water (%):
- 5.09
- Soil (%):
- 48.6
- Sediment (%):
- 46.1
- Other distribution results:
- STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility
======================================================================
(using 10000 hr Bio P,A,S)
PROPERTIES OF:
-------------
Henry 's law constant (Atm-m3/mol) 0.0002635
Air-water partition coefficient 0.0107764
Octanol-water partition coefficient (Kow) 1.58489E+006
Log Kow 6.2
Biomass to water partition coefficient 316979
Temperature [deg C] 25
Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):
-Primary tank 0.00 9984.25 10000.00
-Aeration tank 0.00 9984.25 10000.00
-Settling tank 0.00 9984.25 10000.00
STP Overall Chemical Mass Balance:
---------------------------------
g/h mol/h percent
Influent 1.00E+001 2.6E-002 100.00
Primary sludge 5.90E+000 1.5E-002 58.96
Waste sludge 3.30E+000 8.4E-003 32.98
Primary volatilization 1.07E-003 2.7E-006 0.01
Settling volatilization 2.38E-003 6.1E-006 0.02
Aeration off gas 1.22E-002 3.1E-005 0.12
Primary biodegradation 1.73E-002 4.4E-005 0.17
Settling biodegradation 4.21E-003 1.1E-005 0.04
Aeration biodegradation 5.55E-002 1.4E-004 0.56
Final water effluent 7.13E-001 1.8E-003 7.13
Total removal 9.29E+000 2.4E-002 92.87
Total biodegradation 7.70E-002 2.0E-004 0.77
Any other information on results incl. tables
Level III Fugacity Model (Full-Output):
Chem Name : Ethyl hexyl methoxycrylene
Molecular Wt: 391.51
Henry's LC : 0.000264 atm-m3/mole (calc VP/Wsol)
Vapor Press : 2e-005 mm Hg (user-entered)
Log Kow : 6.2 (user-entered)
Soil Koc : 2.12e+005 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.154 4.97 1000
Water 5.09 900 1000
Soil 48.6 1.8e+003 1000
Sediment 46.1 8.1e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 4.96e-012 1.16e+003 83.1 38.7 2.77
Water 6.61e-010 211 275 7.05 9.15
Soil 1.93e-011 1.01e+003 0 33.6 0
Sediment 8.22e-010 213 49.7 7.09 1.66
Persistence Time: 1.8e+003 hr
Reaction Time: 2.08e+003 hr
Advection Time: 1.32e+004 hr
Percent Reacted: 86.4
Percent Advected: 13.6
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 4.965
Water: 900
Soil: 1800
Sediment: 8100
Biowin estimate: 2.654 (weeks-months)
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
....
Applicant's summary and conclusion
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.