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EC number: 202-808-0 | CAS number: 99-99-0
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Only basic data given
- GLP compliance:
- not specified
- Media:
- soil
- Executive summary:
Weissmahr, 1999
Phyllosilicates of clay are strong and specific sorbents for aromatic nitro compounds. Sorption of 4-nitrotoluene to 2 homoionic kalium ion clays was determined:
1. Kaolinite
- Distribution coefficient Kd (l/kg dry matter) 1
2. Montmorillonite
- Distribution coefficient Kd (l/kg dry matter) 1.7
For 2- and 3-layer clays at varying equivalent fractions of exchangeable K+ and at various ionic strengths:
- Sorption was very low for homoionic Ca2+ or Na+-clays
- For Ca2+/K+- or Na+/K+ clays sorption increases with the degree of K+ saturation of the clay minerals (montmorillonite, smectit and kaolinite) with exchangeable kalium ions
- Sorption decreases with the concentration of the kalium ions in the solution around the clay minerals.
Some tests were done to desorb soil contaminats from clay by exchange of K+ with Ca2+, which succeeded in a remobilization of 4-nitrotoluene- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- Only basic data given
- Principles of method if other than guideline:
- Method: other: as described by Patterson (1996)
- GLP compliance:
- not specified
- Media:
- soil
- Executive summary:
Toze, 1999
Kd = 2.4 l/kg (relative to bromide); Kd = 1.4 l/kg (relative to 2-nitrotoluene)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method with limited documentation
- Principles of method if other than guideline:
- Method: other: (calculation) Kenaga & Goring 1978
- GLP compliance:
- not specified
- Media:
- soil
- Executive summary:
Lyman, 1990, calculation according to Kenaga & Goring 1978:
Koc = 494 (based on log Kow)
Koc = 175 (based on log S; S=water solubility)- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Remarks:
- only basic data given
- Principles of method if other than guideline:
- Method: other: see 'Any other information on materials and methods incl. tables'
- GLP compliance:
- not specified
- Media:
- soil
- Executive summary:
Hildenbrand, 1998
Sorption to three sediments of 4-nitrotoluene in the vicinity of a former ammunition site:
1. clay mineral containing medium-grained sand
- Effective grain size (mm) 0.143
- Organic content (g/kg dry matter) 0.5
- Clay content (g/kg dry matter) 7.1
- Distribution coefficient Kd (l/kg dry matter) 0.75
2. clay mineral containing fine sand
- Effective grain size (mm) 0.037
- Organic content (g/kg dry matter) 0.9
- Clay content (g/kg dry matter) 32
- Distribution coefficient Kd (l/kg dry matter) 3.1
3. clay mineral containing fine sand with coal particles
- Effective grain size (mm) 0.029
- Organic content (g/kg dry matter) 3.1
- Clay content (g/kg dry matter) 13
- Distribution coefficient Kd (l/kg dry matter) 3.9- Endpoint:
- adsorption / desorption, other
- Remarks:
- adsorption
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Principles of method if other than guideline:
- Method: other: see 'Any other information on materials and methods incl. tables'
- GLP compliance:
- not specified
- Media:
- soil
- Executive summary:
Fesch, 1998
For the material used in the study the following results were obtained in single batch experiments for 4-nitrotoluene:
- Langmuir affinity constant K(L) = 0.0108 l/µmol
- Maximum sorbed-phase solute concentration 980 µmol/kg
Mobility was influenced by the presence of other test substances since they compeate for binding sites of the mineral (competitive sorption)- Endpoint:
- adsorption / desorption, other
- Type of information:
- other: OECD SIDS
- Adequacy of study:
- other information
- Reliability:
- other: OECD SIDS
- Rationale for reliability incl. deficiencies:
- other: no reliability is given as this is a summary entry for the OECD SIDS
- GLP compliance:
- not specified
- Executive summary:
OECD SIDS (2003):
No test result on geoaccumulation is available. Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays.
Referenceopen allclose all
Kd = 2.4 l/kg (relative to bromide); Kd = 1.4 l/kg (relative to 2-nitrotoluene)
Koc = 494 (based on log Kow)
Koc = 175 (based on log S; S=water solubility)
Sorption to three sediments of 4-nitrotoluene in the vicinity of a former ammunition site:
1. clay mineral containing medium-grained sand
- Effective grain size (mm) 0.143
- Organic content (g/kg dry matter) 0.5
- Clay content (g/kg dry matter) 7.1
- Distribution coefficient Kd (l/kg dry matter) 0.75
2. clay mineral containing fine sand
- Effective grain size (mm) 0.037
- Organic content (g/kg dry matter) 0.9
- Clay content (g/kg dry matter) 32
- Distribution coefficient Kd (l/kg dry matter) 3.1
3. clay mineral containing fine sand with coal particles
- Effective grain size (mm) 0.029
- Organic content (g/kg dry matter) 3.1
- Clay content (g/kg dry matter) 13
- Distribution coefficient Kd (l/kg dry matter) 3.9
For the material used in the study the following results were obtained in single batch experiments for 4-nitrotoluene:
- Langmuir affinity constant K(L) = 0.0108 l/µmol
- Maximum sorbed-phase solute concentration 980 µmol/kg
Mobility was influenced by the presence of other test substances since they compeate for binding sites of the mineral (competitive sorption)
OECD SIDS (2003):
No test result on geoaccumulation is available. Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays.
Description of key information
For transported isolated intermediates according to REACh, Article 18, this endpoint is not a data requirement. However, data is available for this endpoint and is thus reported under the guidance of "all available data".
OECD SIDS (2003):
No test result on geoaccumulation is available. Binding to soil organic matter has been calculated with Koc = 309 (Bayer AG, 2002b). Thus it is supposed that 4-nitrotoluene would adsorb slightly to sewage sludge, suspended solids, and sediment in water. According to Litz (1990) 4-nitrotoluene can be regarded as a substance with medium geoaccumulation properties. Haderlein et al. (1996) report adsorption constants of 5 - 45 l/kg of 4-nitrotoluene on three monoionic K+ clay minerals indicating a low adsorption by clays.
Fesch, 1998:
For the material used in the study the following results were obtained in single batch experiments for 4-nitrotoluene:
- Langmuir affinity constant K(L) = 0.0108 l/µmol
- Maximum sorbed-phase solute concentration 980 µmol/kg
Mobility was influenced by the presence of other test substances since they compeate for binding sites of the mineral (competitive sorption)
Hildenbrand, 1998:
Sorption to three sediments of 4-nitrotoluene in the vicinity of a former ammunition site:
1. clay mineral containing medium-grained sand
- Effective grain size (mm) 0.143
- Organic content (g/kg dry matter) 0.5
- Clay content (g/kg dry matter) 7.1
- Distribution coefficient Kd (l/kg dry matter) 0.75
2. clay mineral containing fine sand
- Effective grain size (mm) 0.037
- Organic content (g/kg dry matter) 0.9
- Clay content (g/kg dry matter) 32
- Distribution coefficient Kd (l/kg dry matter) 3.1
3. clay mineral containing fine sand with coal particles
- Effective grain size (mm) 0.029
- Organic content (g/kg dry matter) 3.1
- Clay content (g/kg dry matter) 13
- Distribution coefficient Kd (l/kg dry matter) 3.9
Lyman, 1990, calculation according to Kenaga & Goring 1978:
Koc = 494 (based on log Kow)
Koc = 175 (based on log S; S=water solubility)
Toze, 1999
Kd = 2.4 l/kg (relative to bromide); Kd = 1.4 l/kg (relative to 2-nitrotoluene)
Weissmahr, 1999
Phyllosilicates of clay are strong and specific sorbents for aromatic nitro compounds. Sorption of 4-nitrotoluene to 2 homoionic kalium ion clays was determined:
1. Kaolinite
- Distribution coefficient Kd (l/kg dry matter) 1
2. Montmorillonite
- Distribution coefficient Kd (l/kg dry matter) 1.7
For 2- and 3-layer clays at varying equivalent fractions of exchangeable K+ and at various ionic strengths:
- Sorption was very low for homoionic Ca2+ or Na+-clays
- For Ca2+/K+- or Na+/K+ clays sorption increases with the degree of K+ saturation of the clay minerals (montmorillonite, smectit and kaolinite) with exchangeable kalium ions
- Sorption decreases with the concentration of the kalium ions in the solution around the clay minerals.
Some tests were done to desorb soil contaminats from clay by exchange of K+ with Ca2+, which succeeded in a remobilization of 4-nitrotoluene
Key value for chemical safety assessment
Additional information
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