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EC number: 211-189-6 | CAS number: 632-99-5
- 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
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Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: sediment simulation testing
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Fugacity Model by EPI Suite estimation database
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ilydene) methyl]-2-methyl - benzenamine hydrochloride
- Molecular formula: C20H19N3.ClH
- Molecular weight: 337.852 g/mole
- Smiles notation: C(\c1cc(c(N)cc1)C) (c1ccc(N)cc1) =C1/C =CC(=N)C=C1.Cl
- InChl: 1S/C20H19N3.ClH/c1-13-12-16 (6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12, 21H, 22-23H2,1H3;1H/b20-14-,21-17?;
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- Oxygen conditions:
- other: estimation
- Inoculum or test system:
- not specified
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Details on study design:
- Level III Fugacity model
EPI Suite contains a Level III fugacity model. In general, fugacity models predict the partitioning of an organic compound in an evaluative environment. A Level III model assumes steady-state but not equilibrium conditions. The Level III model in EPI Suite predicts partitioning between air, soil, sediment and water using a combination of default parameters and various input parameters that may be user defined or estimated by other programs within EPI Suite.
The model environment consists of 4 main compartments: air, water sediment and soil. There are also sub-compartments such as an aerosol phase, suspended solids, and biota phase, within specific main compartments. A fixed temperature of 25ᵒC is assumed. Mass transport between the compartments via volatilization, diffusion, deposition and runoff are modeled. level III models is a steady state, non-equilibrium model. Steady state conditions mean that the change in concentration of a chemical in each compartment (i) with respect to time eventually approaches zero. The model does not assume that a common equilibrium (fugacity) exists between the phases, so if a chemical is emitted into one compartment it can partition to the other compartments. Loss of chemical occurs through two processes: reaction and advection. Reaction is the biotic or abiotic degradation of the chemical that is calculated using the user specified or model calculated half-lives of the chemical in each of the 4 main compartments. Advection processes are considered for the air, water and sediment compartments. Advection is the removal of chemical from a compartment through losses other than degradation (reaction). The rate of advection in a given compartment is determined by a flow rate (m3/hour), calculated by dividing the volume of the compartment by an advection time. - Compartment:
- water
- % Recovery:
- 3.02
- Remarks on result:
- other: Other details not known
- Compartment:
- sediment
- % Recovery:
- 42.5
- Remarks on result:
- other: Other details not known
- Key result
- % Degr.:
- 50
- Parameter:
- other: Half-life in water
- Sampling time:
- 60 d
- Remarks on result:
- other: Other details not known
- Key result
- % Degr.:
- 50
- Parameter:
- other: Half-life in sediment
- Sampling time:
- 541.666 d
- Remarks on result:
- other: Other details not known
- Key result
- Compartment:
- water
- DT50:
- 60 d
- Type:
- other: estimated data
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Key result
- Compartment:
- sediment
- DT50:
- 541.666 d
- Type:
- other: estimated data
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Transformation products:
- not specified
- Evaporation of parent compound:
- not specified
- Volatile metabolites:
- not specified
- Residues:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Estimated half life of test chemical (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride in water was 60 days (1440 h) and in sediment estimated to be 541.66 days (13000 h).
- Executive summary:
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound (4-(4-aminophenyl)(4-iminocyclohexa-2, 5- dienylidene)methyl)-2-methylaniline hydrochloride (CAS No. 632 -99 -5). If released in to the environment, 3.02 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of (4-(4-aminophenyl) (4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that (4-(4-aminophenyl) (4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride is persistent in sediment.
Reference
Mass Amount (percent) |
Half-Life (hr) |
Emissions (kg/hr) |
|
Water |
3.02 |
1440 |
1000 |
Sediment |
42.5 |
13000 |
0 |
Fugacity (atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
|
Water |
1e-027 |
211 |
438 |
7.02 |
14.6 |
Sediment |
1.67e-027 |
330 |
123 |
11 |
4.11 |
Description of key information
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound (4-(4-aminophenyl)(4-iminocyclohexa-2, 5- dienylidene)methyl)-2-methylaniline hydrochloride (CAS No. 632 -99 -5). If released in to the environment, 3.02 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of (4-(4-aminophenyl) (4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that (4-(4-aminophenyl) (4-iminocyclohexa-2,5-dienylidene)methyl)-2-methylaniline hydrochloride is persistent in sediment.
Key value for chemical safety assessment
- Half-life in freshwater:
- 541.66 d
Additional information
Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound (4-(4-aminophenyl) (4-iminocyclohexa-2, 5- dienylidene)methyl)-2-methylaniline hydrochloride (CAS No. 632 -99 -5). If released in to the environment, 3.02 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (4-(4-aminophenyl)(4-iminocyclohexa-2,5-dienylidene)methyl) -2-methylaniline hydrochloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of (4-(4-aminophenyl) (4-iminocyclohexa-2,5-dienylidene)methyl)-2- methylaniline hydrochloride in sediment is estimated to be 541.66 days (13000 hrs). Based on this half-life value, it indicates that (4-(4-aminophenyl)(4-iminocyclohexa-2,5- dienylidene)methyl)-2-methylaniline hydrochloride is persistent in sediment.
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.
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