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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
Endpoint:
biodegradation in water: simulation testing on ultimate degradation in surface water
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
Specific details on test material used for the study:
- Name of test material (as cited in study report): Tetrabutylammonium hydrogen sulphate
- Molecular formula (if other than submission substance): C16H36N.HO4S
- Molecular weight (if other than submission substance): 339.537 g/mol
- Smiles notation (if other than submission substance): C([N+](CCCC)(CCCC)CCCC)CCC.S([O-])(=O)(=O)O
- InChI: 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: solid
Radiolabelling:
not specified
Oxygen conditions:
other: estimated
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
17.8
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
2.17
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
8.666 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
77.916 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
DT50:
8.666 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
77.916 d
Type:
other: estimated data
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

17.8

208

1000

Sediment

2.17

1.87e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.44e-022

837

251

27.9

8.38

Sediment

5.81e-023

11.3

0.613

0.378

0.0204

Validity criteria fulfilled:
not specified
Conclusions:
Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound Tetrabutyl ammonium hydrogen sulphate (CAS No.32503 -27 -8). Estimated half life of Tetrabutylammonium hydrogen sulphate in water was 8.666 days (208 h) and in sediment estimated to be 77.916 days 1870 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 Tetrabutyl ammonium hydrogen sulphate (CAS No.32503 -27 -8). If released in to the environment, 17.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 8.666 days (208 hrs). The half-life (8.666 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 Tetrabutylammonium hydrogen sulphate in sediment is estimated to be 77.916 days (1870 hrs). Based on this half-life value (77.916 days), it indicates that the chemical Tetrabutylammonium hydrogen sulphate 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 Tetrabutyl ammonium hydrogen sulphate (CAS No.32503 -27 -8). If released in to the environment, 17.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 8.666 days (208 hrs). The half-life (8.666 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 Tetrabutylammonium hydrogen sulphate in sediment is estimated to be 77.916 days (1870 hrs). Based on this half-life value (77.916 days), it indicates that the chemical Tetrabutylammonium hydrogen sulphate is not persistent in sediment.

Key value for chemical safety assessment

Half-life in freshwater:
8.666 d
at the temperature of:
25 °C
Half-life in freshwater sediment:
77.916 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 Tetrabutyl ammonium hydrogen sulphate (CAS No.32503 -27 -8). If released in to the environment, 17.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 8.666 days (208 hrs). The half-life (8.666 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 Tetrabutylammonium hydrogen sulphate in sediment is estimated to be 77.916 days (1870 hrs). Based on this half-life value (77.916 days), it indicates that the chemical Tetrabutylammonium hydrogen sulphate is not persistent in sediment.