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EC number: 202-808-0 | CAS number: 99-99-0
Phototransformation in water
Administrative data
Link to relevant study record(s)
- Endpoint:
- phototransformation in water
- Type of information:
- experimental study
- Adequacy of study:
- other information
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- significant methodological deficiencies
- Remarks:
- Important data not supplied e.g. temperature, experimental design.
- Principles of method if other than guideline:
- other (measured): see 'Any other information on materials and methods incl. tables'
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- reagent grade (Wako Pure Chemical Inc.)
- Transformation products:
- yes
- Executive summary:
Vohra, 2002
5-Nitro-o-cresol, p-cresol, 2-methylresorcinol and p-toluidine are intermediates which can be detected for some hours during the degradation of 4-nitrotoluene. Ammonia, nitrate and CO2 were formed in different ratios depending on the test conditions employed. Acetic acid, formic acid and trace amounts of formaldehyde were also formed. The authors conclude that 2 independent routes for initial degradation exist.
Pseudo-first order photolytic degradation rate constant k1 is 0.045 1/min (concentration of test substance 0.0001 mol/l) which equals about 60 min half life for the removal of TOC.
k = 0.00000962 mol/l x min- Endpoint:
- phototransformation in water
- 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 (measured), 'see Any other information on materials and methods incl. tables'
- GLP compliance:
- not specified
- Quantum yield (for direct photolysis):
- 0.005
- Executive summary:
Simmons, 1986
Taking into account the averaged annual values that pertain to near-surface conditions at latitude 40°N and based on the obtained quantum yield a half-life can be derived for 4-nitrotoluene: t1/2 = 5.9 hours
It was observed that the photodegradation in pure water is slower than in natural water. The photodegradation depends on the content in humic acid and nitrates, which is higher in natural water.
- Endpoint:
- phototransformation in water
- 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): see materials and methods
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- purity not stated
- Temp.:
- 30 °C
- Initial conc. measured:
- 0.1 mmol/L
- Transformation products:
- not measured
- Executive summary:
Dillert, 1999
The following initial rates of degradation were obtained:
- 6.9 µmol/lxmin in the presence of TiO2 (photocatalysis)
- 14.5 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3, without oxalate (photo-Fenton reaction)
- 60 µmol/lxmin in the presence of both 100 µmol/l Fe2(SO4)3 and 150 µmol/l oxalate (photo-Fenton reaction)- Endpoint:
- phototransformation in water
- 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): see materials and methods
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- purity not stated
- Temp.:
- 30 °C
- Initial conc. measured:
- 0.1 mmol/L
- Transformation products:
- no
- Executive summary:
Dillert, 1997
The following initial rates for photodegradation of 4-nitrotoluene in water were obtained:
- 0.49 µmol/lxmin
- 1.01 µmol/lxmin in the presence of 20 mmol/l H2O2 (photooxidation with hydrogenperoxide)
- 1.45 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3
- 14.5 µmol/lxmin in the presence of both 20 mmol/l H2O2 and 100 µmol/l Fe2(SO4)3 (photo-Fenton-reaction)
Referenceopen allclose all
Degradation products (CAS No./EC No./EINECS Name): 106-44-5 203-398-6 p-cresol
Degradation products (CAS No./EC No./EINECS Name): 106-49-0 203-403-1 p-toluidine
Degradation products (CAS No./EC No./EINECS Name): 50-00-0 200-001-8 formaldehyde
Degradation products (CAS No./EC No./EINECS Name): 5428-54-6 226-580-7 5-nitro-o-cresol
Degradation products (CAS No./EC No./EINECS Name): 608-25-3 210-155-8 2-methylresorcinol
Degradation products (CAS No./EC No./EINECS Name): 64-18-6 200-579-1 formic acid
Degradation products (CAS No./EC No./EINECS Name): 64-19-7 200-580-7 acetic acid
The authors conclude that 2 independent routes for initial degradation exist.
Pseudo-first order photolytic degradation rate constant k1 is 0.045 1/min (concentration of test substance 0.0001 mol/l) which equals about 60 min half life for the removal of TOC.
k = 0.00000962 mol/l x min
The quantum yield was measured as 0.0052.
Taking into account the averaged annual values that pertain to near-surface conditions at latitude 40°N and based on the obtained quantum yield a half-life can be derived: t1/2 = 5.9 hours
The following initial rates of degradation were obtained:
- 6.9 µmol/lxmin in the presence of TiO2 (photocatalysis)
- 14.5 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3, without oxalate (photo-Fenton reaction)
- 60 µmol/lxmin in the presence of both 100 µmol/l Fe2(SO4)3 and 150 µmol/l oxalate (photo-Fenton reaction)
The following initial rates of degradation were obtained:
- 0.49 µmol/lxmin
- 1.01 µmol/lxmin in the presence of 20 mmol/l H2O2 (photooxidation with hydrogenperoxide)
- 1.45 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3
- 14.5 µmol/lxmin in the presence of both 20 mmol/l H2O2 and 100 µmol/l Fe2(SO4)3 (photo-Fenton-reaction)
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".
Dillert, 1997
The following initial rates for photodegradation of 4-nitrotoluene in water were obtained:
- 0.49 µmol/lxmin
- 1.01 µmol/lxmin in the presence of 20 mmol/l H2O2 (photooxidation with hydrogenperoxide)
- 1.45 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3
- 14.5 µmol/lxmin in the presence of both 20 mmol/l H2O2 and 100 µmol/l Fe2(SO4)3 (photo-Fenton-reaction)
Dillert, 1999
The following initial rates of degradation were obtained:
- 6.9 µmol/lxmin in the presence of TiO2 (photocatalysis)
- 14.5 µmol/lxmin in the presence of 100 µmol/l Fe2(SO4)3, without oxalate (photo-Fenton reaction)
- 60 µmol/lxmin in the presence of both 100 µmol/l Fe2(SO4)3 and 150 µmol/l oxalate (photo-Fenton reaction)
Simmons, 1986
Taking into account the averaged annual values that pertain to near-surface conditions at latitude 40°N and based on the obtained quantum yield a half-life can be derived for 4-nitrotoluene: t1/2 = 5.9 hours
It was observed that the photodegradation in pure water is slower than in natural water. The photodegradation depends on the content in humic acid and nitrates, which is higher in natural water.
Vohra, 2002
5-Nitro-o-cresol, p-cresol, 2-methylresorcinol and p-toluidine are intermediates which can be detected for some hours during the degradation of 4-nitrotoluene. Ammonia, nitrate and CO2 were formed in different ratios depending on the test conditions employed. Acetic acid, formic acid and trace amounts of formaldehyde were also formed. The authors conclude that 2 independent routes for initial degradation exist.
Pseudo-first order photolytic degradation rate constant k1 is 0.045 1/min (concentration of test substance 0.0001 mol/l) which equals about 60 min half life for the removal of TOC.
k = 0.00000962 mol/l x min
Key value for chemical safety assessment
Additional information
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