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EC number: 202-728-6 | CAS number: 99-08-1
Phototransformation in air
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in air
- 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:
- According to Nojima et al. (1975)
- GLP compliance:
- not specified
- Light source:
- Xenon lamp
- Light spectrum: wavelength in nm:
- <= 300
- % Degr.:
- 20
- Executive summary:
Nojima, 1977
The irradiation of m-nitrotoluene in air yielded nitrophenol derivatives: 3-methyl-2-nitrophenol (trace), 3-methyl-6-nitrophenol (trace) and 3-methyl-4-nitrophenol (4.6%). Through these experiments it is noticed that the reaction did never afford the directly hydroxylated derivatives of the original nitrotoluenes. It might be considered from these results that the photo-excited nitro compounds turned at first into the corresponding phenols, followed by nitration.
When m-nitrotoluene was irradiated in nitrogen, the nitro group turned into the hydroxyl group.
- 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:
- AOPWIN v. 1.91, 2000
- GLP compliance:
- no
- Details on test conditions:
- Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³ - % Degr.:
- 50
- Sampling time:
- 27.6 d
- Executive summary:
EPI Suite (AopWin v. 1.91) calculation for 3-nitrotoluene
Sensitiser (for indirect photolysis): OH Sensitiser concentration: 500,000 molecule/cm³
- Rate constant (for indirect photolysis): 0.0000000000005808 cm³/(molecule*sec)
- Degradation in % (for indirect photolysis): 50 after 27.6 day(s)- Endpoint:
- phototransformation in air
- 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:
- other (measured)
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): m-Nitrotoluol
- Analytical purity: no data - Details on test conditions:
- Sensitiser (for indirect photolysis): OH
Sensitiser concentration: 500000 molecule/cm³ - % Degr.:
- 50
- Sampling time:
- 17 d
- Executive summary:
Nolting et al., 1987
The reactivity of 3-nitrotoluene to OH radicals was determined experimentally. The rate constant (for indirect photolysis) was 0.00000000000095 cm³/(molecule*sec) for 3-nitrotoluene, equivalent to a half-life period (t1/2) of 17 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.
Referenceopen allclose all
The irradiation of m-nitrotoluene in air yielded nitrophenol derivatives: 3-methyl-2-nitrophenol (trace), 3-methyl-6-nitrophenol (trace) and 3-methyl-4-nitrophenol (4.6%). Through these experiments it is noticed that the reaction did never afford the directly hydroxylated derivatives of the original nitrotoluenes. It might be considered from these results that the photo-excited nitro compounds turned at first into the corresponding phenols, followed by nitration.
When m-nitrotoluene was irradiated in nitrogen, the nitro group turned into the hydroxyl group.
Rate constant (for indirect photolysis): 0.0000000000005808 cm³/(molecule*sec)
Rate constant (for indirect photolysis): 0.00000000000095 cm³/(molecule*sec)
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".
Nolting et al., 1987
The reactivity of 3-nitrotoluene to OH radicals was determined experimentally. The rate constant (for indirect photolysis) was 0.00000000000095 cm³/(molecule*sec) for 3-nitrotoluene, equivalent to a half-life period (t1/2) of 17 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.
EPI Suite (AopWin v. 1.91) calculation for 3-nitrotoluene
Sensitiser (for indirect photolysis): OH Sensitiser concentration: 500,000 molecule/cm³
- Rate constant (for indirect photolysis): 0.0000000000005808 cm³/(molecule*sec)
- Degradation in % (for indirect photolysis): 50 after 27.6 day(s)
Nojima, 1977
The irradiation of m-nitrotoluene in air yielded nitrophenol derivatives: 3-methyl-2-nitrophenol (trace), 3-methyl-6-nitrophenol (trace) and 3-methyl-4-nitrophenol (4.6%). Through these experiments it is noticed that the reaction did never afford the directly hydroxylated derivatives of the original nitrotoluenes. It might be considered from these results that the photo-excited nitro compounds turned at first into the corresponding phenols, followed by nitration.
When m-nitrotoluene was irradiated in nitrogen, the nitro group turned into the hydroxyl group.
Key value for chemical safety assessment
- Half-life in air:
- 17 d
- Degradation rate constant with OH radicals:
- 0 cm³ molecule-1 s-1
Additional information
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