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EC number: 204-616-2 | CAS number: 123-30-8
- 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:
- supporting study
- Study period:
- 2010
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: episuite QSAR fugacity III
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Report date:
- 2010
Materials and methods
- Model:
- other: Level III fugacity model
- Calculation programme:
- 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, melting point and VP 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.
Input data: Chem Name :
Molecular Wt: 109.13
Henry's LC : 8.836E-010 atm-m3/mole (Henrywin program)
Vapor Press : 0.00004 mm Hg (user-entered)
Liquid VP : 0.0146 mm Hg (25 deg C, (user-entered VP))
Melting Pt : 189 deg C (user-entered)
Log Kow : -.0.09 (user-entered)
Emmission values entered: 100 kg/hr water and 1 kg/hr to soil. 0 kg/hr to air.
EPI Suite contains a Level III fugacity model. The methodology and programming approach were developed by Dr. Donald Mackay and co-workers (Mackay et al., 1996a, 1996b; Mackay 1991; see Reference section). The model in EPI Suite is a direct adaptation of this methodology. While it uses the same equations as Mackay’s EQC model, it was adapted specifically for use in EPI Suite. It uses exactly the same default values as the EQC mode
Test material
- Reference substance name:
- 4-aminophenol
- EC Number:
- 204-616-2
- EC Name:
- 4-aminophenol
- Cas Number:
- 123-30-8
- Molecular formula:
- C6H7NO
- IUPAC Name:
- 4-aminophenol
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 98.2
- Soil (%):
- 1.63
- Sediment (%):
- 0.182
Any other information on results incl. tables
Level III Fugacity Model: | |||
half-life (hr) | emissions (kg/hr) | Mass (percent ) | |
Air | 3.46 | 0 | 3.20E+00 |
Water | 360 | 100 | 98.2 |
Soil | 720 | 1 | 1.63 |
Sediment | 3.24e+003 | 0 | 0.182 |
Persistence Time: 346 hr |
Applicant's summary and conclusion
- Conclusions:
- Based on the Log Kow (-0.09), water solubility (6500 mg/L) and Log Koc 0.59 it is unlikely that this substance will significantly partition to the sediments and soils compartments. Further, given the vapour pressure of this substance (0.0053 Pa) and the low Henry's law constant for the substance, it is unlikely that this substance will volatilize and be present in the atmosphere or would not be expected to volatilize readily from water into air. This substance will most likely distribute and reside in the water compartment. This is supported by QSAR fugacity modeling (Level III Mackay modeling) indicating 98.2% in water compartment.
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