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Environmental fate & pathways

Biodegradation in soil

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Reference
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:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model level III by EPI Suite v 4.1 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: estimated
Soil classification:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Soil No.:
#1
% Recovery:
83.5
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

Mass Amount (Percent)

Half-life (hr)

Emission (kg/hr)

Soil

83.5

1.8e+003

1000

 

Fugacity(atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Soil

5.72e-012

1.43e+003

0

47.5

0

Conclusions:
Biodegradation half-life of test substance 2-methyl-4-nitroaniline in soil was estimated to be 75 days (1800 hrs).
Executive summary:

The half-life period of test chemical 2-methyl-4-nitroaniline (CAS No. 99 -52 -5) 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, 83.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-methyl-4-nitroaniline in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of 2-methyl-4-nitroaniline, 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.

Description of key information

The half-life period of test chemical 2-methyl-4-nitroaniline (CAS No. 99 -52 -5) 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, 83.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-methyl-4-nitroaniline in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of 2-methyl-4-nitroaniline, 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 test chemical 2-methyl-4-nitroaniline (CAS No. 99 -52 -5) 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, 83.5% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 2-methyl-4-nitroaniline in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of 2-methyl-4-nitroaniline, 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.