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Diss Factsheets
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EC number: 201-853-3 | CAS number: 88-72-2
- 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
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Principles of method if other than guideline:
- Method: other (calculated): with AopWin v. 1.91
- GLP compliance:
- no
- Details on test conditions:
- Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³ - Executive summary:
EPI Suite (AopWin v. 1.91) calculation
Sensitiser (for indirect photolysis): OH Sensitiser concentration: 500000 molecule/cm³
- Rate constant (for indirect photolysis): 0.0000000000007722 cm³/(molecule*sec)
- Degradation in % (for indirect photolysis): 50 after 20.8 day(s)- Endpoint:
- phototransformation in air
- Type of information:
- other: EU Risk Assessment
- Adequacy of study:
- other information
- Reliability:
- other: EU Risk Assessment
- Rationale for reliability incl. deficiencies:
- other: No reliability is given as this is a summary entry for the EU RAR.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Analytical purity: not specified
- Executive summary:
EU Risk Assessment (2008):
When released to the atmosphere, 2-nitrotoluene is expected to exist entirely in the vapour phase. The dominant removal mechanisms would be reaction with photochemically generated hydroxyl radicals (estimated half-life 8h) and direct photolysis. The rate at which 2-nitrotoluene reacts with OH radicals has been measured experimentally; the velocity constant KOH was 0.7·10-12cm3·molecule-1·s-1 (Meylan and Howard, 1993), equivalent to a half-life period (t1/2) of 23 days, assuming a mean tropospheric OH radical concentration of 5·105molecules per cm3. In view of the UV absorption of 2 -nitrotoluene in the sunlight range (wavelenght >295 nm) there is a possibility of direct photolysis under tropospheric conditions (BUA, 1989).
The photochemical reaction of 2-nitrotoluene was studied by Nojima and Kanno (1977).
When 2-nitrotoluene was irradiated in nitrogen the nitro group turned into the hydroxyl group and o-cresol was obtained. The yields of the products of both photochemical reaction with air and with nitrogen are the following:
Rate of disappearance of o-nitrotoluene Products (yield) 79% - reaction with air 2-methyl-6-nitrophenol (6.1%) 2-methyl-4-nitrophenol (7.5%) 71% - reaction with nitrogen o-cresol (8.5%) - Endpoint:
- phototransformation in air
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Principles of method if other than guideline:
- - flash light photolysis/resonance fluorescence
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): o-Nitrotoluene
- Analytical purity: not specified - Key result
- Reaction with:
- OH radicals
- Rate constant:
- 0 cm³ molecule-1 s-1
- Executive summary:
The reactivity of 2-nitrotoluene to OH radicals was determined experimentally. The velocity constant KOH was 0.7×10-12 cm³×molecule-1×s-1 for nitrotoluene, equivalent to a half-life period (t1/2) of 23 days, assuming a mean tropospheric OH radical concentration of 5×105 molecules/cm³ (Nolting et al., 1987). In view of the UV absorption of nitrotoluenes in the sunlight range (wavelength > 295 nm) there is a possibility of direct photolysis under tropospheric conditions.
Referenceopen allclose all
- Rate constant (for indirect photolysis): 0.0000000000007722 cm³/(molecule*sec)
- Degradation in % (for indirect photolysis): 50 after 20.8 day(s)
EU Risk Assessment (2008):
When released to the atmosphere, 2-nitrotoluene is expected to exist entirely in the vapour phase. The dominant removal mechanisms would be reaction with photochemically generated hydroxyl radicals (estimated half-life 8h) and direct photolysis. The rate at which 2-nitrotoluene reacts with OH radicals has been measured experimentally; the velocity constant KOH was 0.7·10-12cm3·molecule-1·s-1 (Meylan and Howard, 1993), equivalent to a half-life period (t1/2) of 23 days, assuming a mean tropospheric OH radical concentration of 5·105molecules per cm3. In view of the UV absorption of 2 -nitrotoluene in the sunlight range (wavelenght >295 nm) there is a possibility of direct photolysis under tropospheric conditions (BUA, 1989).
The photochemical reaction of 2-nitrotoluene was studied by Nojima and Kanno (1977). One millilitre of a solution of 2-nitrotoluene in hexane (4.46·10-5moles/ml) was taken in a litre reaction vessel, followed by removal of n-hexane and substitution with air or nitrogen free from nitrogen oxides. The residual nitrotoluene in air was irradiated atl>300 nm for 5 hours and this yielded nitrophenol derivatives. From this results it might be considered that the compound was converted at first to the corresponding phenol and cresol by the liberation of nitrogen monoxide through the nitronitrite rearrangement, followed by nitration with nitrogen dioxide, which was produced by the oxidation of nitrogen monoxide in the excess of oxygen in air, finally to give nitrophenols. When 2-nitrotoluene was irradiated in nitrogen the nitro group turned into the hydroxyl group and o-cresol was obtained. The yields of the products of both photochemical reaction with air and with nitrogen are the following:
Rate of disappearance of o-nitrotoluene | Products (yield) |
79% - reaction with air | 2-methyl-6-nitrophenol (6.1%) |
2-methyl-4-nitrophenol (7.5%) | |
71% - reaction with nitrogen | o-cresol (8.5%) |
Precipitation
A 2-nitrotoluene lifetime of 20 days, based upon the reaction with hydroxyl radicals, may lead to a certain removal of 2-nitrotoluene from the atmosphere by precipitation. Even so, it is unlikely to be transported long distances from its point of emission and possible concentrations due to precipitation of 2-nitrotoluene from the atmosphere are therefore expected to be larger next to the point of emission.
The reactivity of o-nitrotoluene to OH radicals was determined experimentally. The velocity constant KOH was 0.7×10-12 cm³×molecule-1×s-1 for nitrotoluene, equivalent to a half-life period (t1/2) of 23 days, assuming a mean tropospheric OH radical concentration of 5×105 molecules/cm³ (Nolting et al., 1987). In view of the UV absorption of nitrotoluenes in the sunlight range (wavelength > 295 nm) there is a possibility of direct photolysis under tropospheric conditions.
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".
EU Risk Assessment (2008)
When released to the atmosphere, 2-nitrotoluene is expected to exist entirely in the vapour phase. The dominant removal mechanisms would be reaction with photochemically generated hydroxyl radicals (estimated half-life 8h) and direct photolysis. The rate at which 2-nitrotoluene reacts with OH radicals has been measured experimentally; the velocity constant KOH was 0.7·10-12cm3·molecule-1·s-1 (Meylan and Howard, 1993), equivalent to a half-life period (t1/2) of 23 days, assuming a mean tropospheric OH radical concentration of 5·105molecules per cm3. In view of the UV absorption of 2 -nitrotoluene in the sunlight range (wavelenght >295 nm) there is a possibility of direct photolysis under tropospheric conditions (BUA, 1989).
The photochemical reaction of 2-nitrotoluene was studied by Nojima and Kanno (1977).
When 2-nitrotoluene was irradiated in nitrogen the nitro group turned into the hydroxyl group and o-cresol was obtained. The yields of the products of both photochemical reaction with air and with nitrogen are the following:
Rate of disappearance of o-nitrotoluene | Products (yield) |
79% - reaction with air | 2-methyl-6-nitrophenol (6.1%) |
2-methyl-4-nitrophenol (7.5%) | |
71% - reaction with nitrogen | o-cresol (8.5%) |
Nolting et al., 1987
The reactivity of 2-nitrotoluene to OH radicals was determined experimentally. The velocity constant KOH was 0.7×10-12 cm³×molecule-1×s-1 for nitrotoluene, equivalent to a half-life period (t1/2) of 23 days, assuming a mean tropospheric OH radical concentration of 5×105 molecules/cm³. In view of the UV absorption of nitrotoluenes in the sunlight range (wavelength > 295 nm) there is a possibility of direct photolysis under tropospheric conditions.
Bayer Industry Services 2006 (EPI Suite (AopWin v. 1.91) calculation)
Sensitiser (for indirect photolysis): OH Sensitiser concentration: 500000 molecule/cm³
- Rate constant (for indirect photolysis): 0.0000000000007722 cm³/(molecule*sec)
- Degradation in % (for indirect photolysis): 50 after 20.8 day(s)
Key value for chemical safety assessment
- Half-life in air:
- 23 d
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
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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