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EC number: 204-504-3 | CAS number: 121-89-1
Biodegradation in soil
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in soil: simulation testing
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- Fugacity Model by EPI Suite estimation database
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 3-Nitroacetophenone
- Molecular formula (if other than submission substance): C8H7NO3
- Molecular weight (if other than submission substance): 165.147 g/mol
- Smiles notation (if other than submission substance): c1(cc(ccc1)[N+](=O)[O-])C(C)=O
- InChI: 1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
- Substance type: Organic
- Physical state: Solid - Oxygen conditions:
- other: estimated
- Soil classification:
- not specified
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Soil No.:
- #1
- % Recovery:
- 79.4
- Remarks on result:
- other: Other details not known
- Key result
- Soil No.:
- #1
- % Degr.:
- 50
- Parameter:
- other: Half-life
- Sampling time:
- 75 d
- Remarks on result:
- other: Other details not known
- Key result
- Soil No.:
- #1
- DT50:
- 75 d
- Type:
- other: estimated data
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Transformation products:
- not specified
- Evaporation of parent compound:
- not specified
- Volatile metabolites:
- not specified
- Residues:
- not specified
- Conclusions:
- Biodegradation half-life of test substance 3-Nitroacetophenone in soil was estimated to be 75 days (1800 hrs)
- Executive summary:
The half-life period of 3-Nitroacetophenone (CAS No. 121 -89-1) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 79.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-Nitroacetophenone in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of 3-Nitroacetophenone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
Reference
|
|
Mass Amount (Percent) |
Half-life (hr) |
Emission (kg/hr) |
Soil |
79.4 |
1.8e+003 |
1000 |
|
Fugacity(atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
Soil |
4.49e-011 |
1.26e+003 |
0 |
42.1 |
0 |
Description of key information
The half-life period of 3-Nitroacetophenone (CAS No. 121 -89-1) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 79.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-Nitroacetophenone in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of 3-Nitroacetophenone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
Key value for chemical safety assessment
- Half-life in soil:
- 75 d
- at the temperature of:
- 25 °C
Additional information
The half-life period of 3-Nitroacetophenone (CAS No. 121 -89-1) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 79.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-Nitroacetophenone in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of 3-Nitroacetophenone, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.
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