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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
biodegradation in water and sediment: simulation tests
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
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model by EPI Suite estimation database
GLP compliance:
no
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 4-amino-3-methylbenzenesulfonic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mol
-Smiles: S(c1cc(c(N)cc1)C)(O)(=O)=O
- InChI: 1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
- 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:
other: water, material (mass) balance
% Recovery:
35
Remarks on result:
other: Other details not known
Compartment:
other: sediment, material (mass) balance
% Recovery:
0.084
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
Half-life:
37.5 d
Type:
other: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
Half-life:
337.5 d
Type:
other: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Transformation products:
not specified

               

 

Mass Amount

(percent)

 Half-Life

 (hr)

Emissions

(kg/hr)

Water

35

900

1000

Sediment

0.0835

8.1e+003

0

 

 

Fugacity

(atm)

Reaction

(kg/hr)

Advection

 (kg/hr)

Reaction

 (percent)

Advection

 (percent)

Water

3.16e-017

930

1.21e+003

31

40.2

Sediment

3.05e-017

0.247

0.0577

0.00822

0.00192

 

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 4-Amino-3-methylbenzenesulfonic acid 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  4 -Amino-3 -methylbenzenesulfonic acid (CAS No. 98 -33 -9). If released in to the environment, 35% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4 -Amino-3 -methylbenzenesulfonic acid 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 4 -Amino-3 -methylbenzenesulfonic acid in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediement is less than 1% (i.e, reported as 0.0835%), it indicates that the chemical 4 -Amino-3 -methylbenzenesulfonic acid 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 4 -Amino-3 -methylbenzenesulfonic acid (CAS No. 98 -33 -9). If released in to the environment, 35% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4 -Amino-3 -methylbenzenesulfonic acid 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 4 -Amino-3 -methylbenzenesulfonic acid in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediement is less than 1% (i.e, reported as 0.0835%), it indicates that the chemical 4 -Amino-3 -methylbenzenesulfonic acid is not persistent in sediment. 

Key value for chemical safety assessment

Half-life in water:
37.5 d
at the temperature of:
25 °C
Half-life in 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  4 -Amino-3 -methylbenzenesulfonic acid (CAS No. 98 -33 -9). If released in to the environment, 35% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 4 -Amino-3 -methylbenzenesulfonic acid 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 4 -Amino-3 -methylbenzenesulfonic acid in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediement is less than 1% (i.e, reported as 0.0835%), it indicates that the chemical 4 -Amino-3 -methylbenzenesulfonic acid is not persistent in sediment.