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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
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:
- IUPAC name 2-methyl-4-nitroaniline
- Name of test material: 4-nitro-o-toluidine
- Molecular formula: C7H8N2O2
- Molecular weight: 152.152 g/mol
- Physical state: Solid
- SMILES: c1(cc(c(N)cc1)C)[N+](=O)[O-]
- InChI: 1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
16.2
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
0.173
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

16.2

900

1000

Sediment

0.173

8.1e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

4.58e-013

554

719

18.5

24

Sediment

4.62e-013

0.656

0.153

0.0219

0.00511
Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of test chemical 2-methyl-4-nitroaniline 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  2-methyl-4-nitroaniline (CAS No. 99 -52 -5). If released in to the environment, 16.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-methyl-4-nitroaniline in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the 2-methyl-4-nitroaniline is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 2-methyl-4-nitroaniline 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 0.173%), indicates that 2-methyl-4-nitroaniline 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  2-methyl-4-nitroaniline (CAS No. 99 -52 -5). If released in to the environment, 16.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-methyl-4-nitroaniline in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the 2-methyl-4-nitroaniline is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 2-methyl-4-nitroaniline 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 0.173%), indicates that 2-methyl-4-nitroaniline 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  2-methyl-4-nitroaniline (CAS No. 99 -52 -5). If released in to the environment, 16.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2-methyl-4-nitroaniline in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the 2-methyl-4-nitroaniline is not persistent in water and the exposure risk to aquatic animals is moderate to low whereas the half-life period of 2-methyl-4-nitroaniline 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 0.173%), indicates that 2-methyl-4-nitroaniline is not persistent in sediment.