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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
Endpoint:
biodegradation in water: sediment 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:
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: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
19.8
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
0.114
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
37.5 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
337.5 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
DT50:
37.5 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
337.5 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

Mass Amount

(percent)

Half-Life (hr)

Emissions (kg/hr)

Water

19.8

900

1000

Sediment

0.114

8.1e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

2.25e-012

631

819

21

27.3

Sediment

2.22e-012

0.404

0.0945

0.0135

0.00315

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 3-Nitroacetophenone in water was 37.5 days (900 h) and in sediment estimated to be 337.5 days (8100 h).
Executive summary:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-Nitroacetophenone (CAS No. 121 -89 -1). If released in to the environment, 19.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 3-Nitroacetophenone in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 3-Nitroacetophenone in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.114%), indicates that 3-Nitroacetophenone is not persistent in sediment.

Description of key information

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-Nitroacetophenone (CAS No. 121 -89 -1). If released in to the environment, 19.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 3-Nitroacetophenone in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 3-Nitroacetophenone in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.114%), indicates that 3-Nitroacetophenone is not persistent in sediment.

Key value for chemical safety assessment

Half-life in freshwater:
37.5 d
at the temperature of:
25 °C
Half-life in freshwater sediment:
337.5 d
at the temperature of:
25 °C

Additional information

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-Nitroacetophenone (CAS No. 121 -89 -1). If released in to the environment, 19.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 3-Nitroacetophenone in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 3-Nitroacetophenone in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.114%), indicates that 3-Nitroacetophenone is not persistent in sediment.