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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Link to relevant study record(s)

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:
- Name of test material (as cited in study report): Sulfoacetic acid
- Molecular formula: C2H4O5S
- Molecular weight: 140.115 g/mol
- Substance type: organic
- Physical state: solid
- Smiles: S(CC(O)=O)(O)(=O)=O
- InChI: 1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
Radiolabelling:
not specified
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Details on study design:
Level III Fugacity model
EPI Suite contains a Level III fugacity model. In general, fugacity models predict the partitioning of an organic compound in an evaluative environment. A Level III model assumes steady-state but not equilibrium conditions. The Level III model in EPI Suite predicts partitioning between air, soil, sediment and water using a combination of default parameters and various input parameters that may be user defined or estimated by other programs within EPI Suite.

The model environment consists of 4 main compartments: air, water sediment and soil. There are also sub-compartments such as an aerosol phase, suspended solids, and biota phase, within specific main compartments. A fixed temperature of 25ᵒC is assumed. Mass transport between the compartments via volatilization, diffusion, deposition and runoff are modeled. level III models is a steady state, non-equilibrium model. Steady state conditions mean that the change in concentration of a chemical in each compartment (i) with respect to time eventually approaches zero. The model does not assume that a common equilibrium (fugacity) exists between the phases, so if a chemical is emitted into one compartment it can partition to the other compartments. Loss of chemical occurs through two processes: reaction and advection. Reaction is the biotic or abiotic degradation of the chemical that is calculated using the user specified or model calculated half-lives of the chemical in each of the 4 main compartments. Advection processes are considered for the air, water and sediment compartments. Advection is the removal of chemical from a compartment through losses other than degradation (reaction). The rate of advection in a given compartment is determined by a flow rate (m3/hour), calculated by dividing the volume of the compartment by an advection time.
Compartment:
water
% Recovery:
33.5
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
0.059
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
8.66 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
77.91 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
DT50:
8.66 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
77.91 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

33.5

208

1000

Sediment

0.0592

1.870

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.31e-018

1.31e+003

393

43.6

13.1

Sediment

1.13e-018

0.257

0.0139

0.00857

0.000463

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of test chemical in water was (8.66) days ( 208h) and in sediment estimated to be (77.91) days (1.870 hrs).
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 Sulfoacetic acid (CAS No: 123-43-3) .If released in to the environment, 33.5 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Sulfoacetic acid (CAS No: 123-43-3) in water is estimated to be 8.66 days (208 hrs). The half-life (8.66 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 test chemical Sulfoacetic acid (CAS No: 123-43-3) in sediment is estimated to be 77.91 days (1870 hrs) indicates that test chemical 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 Sulfoacetic acid (CAS No: 123-43-3) .If released in to the environment, 33.5 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Sulfoacetic acid (CAS No: 123-43-3) in water is estimated to be 8.66 days (208 hrs). The half-life (8.66 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 test chemical Sulfoacetic acid (CAS No: 123-43-3) in sediment is estimated to be 77.91 days (1870 hrs) indicates that test chemical is not persistent in sediment.

 

Key value for chemical safety assessment

Half-life in freshwater:
8.66 d
at the temperature of:
25 °C
Half-life in freshwater sediment:
77.91 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 Sulfoacetic acid (CAS No: 123-43-3) .If released in to the environment, 33.5 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Sulfoacetic acid (CAS No: 123-43-3) in water is estimated to be 8.66 days (208 hrs). The half-life (8.66 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 test chemical Sulfoacetic acid (CAS No: 123-43-3) in sediment is estimated to be 77.91 days (1870 hrs). However, as the percentage release of test chemical Sulfoacetic acid (CAS No: 123-43-3) into the sediment is less than 1% (i.e, reported as 0.0592%), indicates that test chemical is not persistent in sediment.