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EC number: 269-944-0 | CAS number: 68391-32-2
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- 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
- 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): (8-((4-Amino-3-nitrophenyl)azo)-7-hydroxy-2-naphthyl)trimethylammonium chloride
- Molecular formula (if other than submission substance): C19H20N5O3.Cl
- Molecular weight (if other than submission substance): 401.852 g/mol
- Smiles notation (if other than submission substance):[N+](c1cc(\N=N\c2c3cc([N+](C)(C)C)ccc3ccc2O)ccc1N)([O])=O.[ClH]
- InChl (if other than submission substance): 1S/C19H19N5O3.ClH/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-13-6-8-16(20)17(10-13)23(26)27;/h4-11H,1-3H3,(H2-,20,21,22,25);1H
- Structural formula attached as image file (if other than submission substance): No data available
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- 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:
- 4.75
- Remarks on result:
- other: Other details not known
- Compartment:
- other: sediment, material (mass) balance
- % Recovery:
- 29.4
- Remarks on result:
- other: Other details not known
- Key result
- % Degr.:
- 50
- Parameter:
- other: Half life in water
- Sampling time:
- 60 d
- Remarks on result:
- other: Other details not known
- Key result
- % Degr.:
- 50
- Parameter:
- other: Half-life in sediment
- Sampling time:
- 541.666 d
- Remarks on result:
- other: Other details not known
- Key result
- Compartment:
- water
- DT50:
- 60 d
- Type:
- other: estimation
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Key result
- Compartment:
- sediment
- DT50:
- 541.666 d
- Type:
- other: estimation
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Estimated half life of (8-((4-Amino-3-nitrophenyl)azo)-7-hydroxy-2-naphthyl)trimethylammonium chloride in water was 60 days (1440 h) and in sediment estimated to be 541.666 days (13000 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 (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride (CAS No. 68391 -32 -2). If released in to the environment, 4.75% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride in sediment is estimated to be 541.666 days (13000 hrs). Based on this half-life value (541.666 days), it indicates that the chemical (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride is persistent in sediment.
Reference
|
Mass Amount (percent) |
Half-Life (hr) |
Emissions (kg/hr) |
Water |
4.75 |
1.44e+003 |
1000 |
Sediment |
29.4 |
1.3e+004 |
0 |
|
Fugacity (atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
Water |
5.55e-030 |
274 |
569 |
9.13 |
19 |
Sediment |
9.23e-030 |
188 |
70.4 |
6.27 |
2.35 |
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 (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride (CAS No. 68391 -32 -2). If released in to the environment, 4.75% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride in sediment is estimated to be 541.666 days (13000 hrs). Based on this half-life value (541.666 days), it indicates that the chemical (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride is persistent in sediment.
Key value for chemical safety assessment
- Half-life in freshwater:
- 60 d
- at the temperature of:
- 25 °C
- Half-life in freshwater sediment:
- 541.666 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 (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride (CAS No. 68391 -32 -2). If released in to the environment, 4.75% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride in sediment is estimated to be 541.666 days (13000 hrs). Based on this half-life value (541.666 days), it indicates that the chemical (8 -((4 -Amino-3 -nitrophenyl)azo)-7 -hydroxy-2 -naphthyl)trimethylammonium chloride is persistent in sediment.
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