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EC number: 217-168-8 | CAS number: 1761-71-3
- 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
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Scientifically acceptable method of calculation
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 020
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- The fugacity was determined using EQC Level III model as found in EPIWIN v3.20. An experimentally determined value for the partition coefficient was used. Degradation in air, water, soil and sediment was determined from the BIOWIN (ultimate) and the AOPWIN program. Direct photolysis was not considered in this model. Other parameters used were the default values found in EPIWIN.
- Release year:
- 2 000
- Media:
- other: air - sediment(s) - soil - water
Test material
- Reference substance name:
- 4,4'-methylenebis(cyclohexylamine)
- EC Number:
- 217-168-8
- EC Name:
- 4,4'-methylenebis(cyclohexylamine)
- Cas Number:
- 1761-71-3
- Molecular formula:
- C13H26N2
- IUPAC Name:
- 4,4'-methylenedicyclohexanamine
- Details on test material:
- no data
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.06
- Water (%):
- 19.1
- Soil (%):
- 80.5
- Sediment (%):
- 0.3
- Other distribution results:
- Level III Fugacity Model (Full-Output):
=======================================
Chem Name : 1761-71-3
Molecular Wt: 210.37
Henry's LC : 4.54e-009 atm-m3/mole (Henrywin program)
Vapor Press : 0.00031 mm Hg (Mpbpwin program)
Liquid VP : 0.00144 mm Hg (super-cooled)
Melting Pt : 92.5 deg C (Mpbpwin program)
Log Kow : 2.03 (user-entered)
Soil Koc : 446 (KOCWIN MCI method)
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0586 2.2 1000
Water 19.1 360 1000
Soil 80.5 720 1000
Sediment 0.341 3.24e+003 0
Fugacity Reaction Advection Reaction Advection
(atm) (kg/hr) (kg/hr) (percent) (percent)
Air 1.34e-012 363 11.5 12.1 0.385
Water 4.05e-014 722 375 24.1 12.5
Soil 1.73e-013 1.53e+003 0 50.9 0
Sediment 3.1e-014 1.44 0.134 0.0479 0.00448
Persistence Time: 656 hr
Reaction Time: 754 hr
Advection Time: 5.09e+003 hr
Percent Reacted: 87.1
Percent Advected: 12.9
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 2.203
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 2.783 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- Assuming equal emissions to each compartment, Mackay Level III fugacity predictions estimate 80.5, 19.1, 0.3 and 0.06% partitioning in soil, water, sediment and air, respectively. First and second pKa values of 10.24 and 10.37 (25 °C) indicate that the molecule will almost entirely exist as a 2+ cation in the environment. Hence, the distribution into the water, soil and sediment may be underestimated by the model, since the model refers to the uncharged molecule only and does not consider the distribution properties of ionized compounds.
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