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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:
- Name of test material (as cited in study report): N,N,N-tributylbutan-1-aminium iodide
- Molecular formula (if other than submission substance): C16H36N.I
- Molecular weight (if other than submission substance): 369.367 g/mol
- Smiles notation (if other than submission substance): [N+](CCCC)(CCCC)(CCCC)CCCC.[IH-]
- InChI: 1S/C16H36N.HI/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- 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:
water
% Recovery:
17.2
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
5.01
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:
77.916 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:
77.916 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

17.2

208

1000

Sediment

5.01

1.87e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

2.57e-016

821

247

27.4

8.22

Sediment

1e-016

26.6

1.44

0.886

0.0479
Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of N,N,N-tributylbutan-1-aminium iodide in water was 8.66 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 N,N,N-tributylbutan-1-aminium iodide (CAS No. 311 -28 -4). If released in to the environment, 17.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N,N,N-tributylbutan-1-aminium iodide 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 N,N,N-tributylbutan-1-aminium iodide in sediment is estimated to be 77.916 days (1870 hrs).  Based on this half-life value, it inidcates that N,N,N-tributylbutan-1-aminium iodide 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 N,N,N-tributylbutan-1 -aminium iodide (CAS No. 311 -28 -4). If released in to the environment, 17.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N,N,N-tributylbutan-1-aminium iodide 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 N,N,N-tributylbutan-1-aminium iodide in sediment is estimated to be 77.916 days (1870 hrs).  Based on this half-life value, it inidcates that N,N,N-tributylbutan-1-aminium iodide 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:
77.916 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 N,N,N-tributylbutan-1-aminium iodide (CAS No. 311 -28 -4). If released in to the environment, 17.2% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of N,N,N-tributylbutan-1-aminium iodide 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 N,N,N-tributylbutan-1-aminium iodide in sediment is estimated to be 77.916 days (1870 hrs).  Based on this half-life value, it inidcates that N,N,N-tributylbutan-1-aminium iodide is not persistent in sediment.