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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
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): C.I. Solvent Red 49
- Molecular formula (if other than submission substance): C28H30N2O3
- Molecular weight (if other than submission substance): 442.556 g/mol
- Smiles notation (if other than submission substance): C12(c3c(Oc4c1ccc(c4)N(CC)CC)cc(N(CC)CC)cc3)c1c(cccc1)C(O2)=O
- InChI: 1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3
- 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:
1.36
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
50.4
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
180 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
1 620.833 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
DT50:
180 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
1 620.833 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

1.36

4.32e+003

1000

Sediment

50.4

3.89e+004

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.37e-017

63.7

397

2.12

13.2

Sediment

3.69e-017

262

293

8.72

9.78

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of C.I. Solvent Red 49 in water was 180 days (4320 h) and in sediment estimated to be 1620.833 days (38900 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 C.I. Solvent Red 49 (CAS No. 509 -34 -2). If released in to the environment, 1.36% 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 180 days (4320 hrs). The half-life (180 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 test chemical C.I. Solvent Red 49 in sediment is estimated to be 1620.833 days (38900 hrs). Based on this half-life value (1620.833 days), it indicates that the chemical C.I. Solvent Red 49 is 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 C.I. Solvent Red 49 (CAS No. 509 -34 -2). If released in to the environment, 1.36% 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 180 days (4320 hrs). The half-life (180 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 test chemical C.I. Solvent Red 49 in sediment is estimated to be 1620.833 days (38900 hrs). Based on this half-life value (1620.833 days), it indicates that the chemical C.I. Solvent Red 49 is persistent in sediment.

Key value for chemical safety assessment

Half-life in freshwater:
180 d
at the temperature of:
25 °C
Half-life in freshwater sediment:
1 620.833 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 C.I. Solvent Red 49 (CAS No. 509 -34 -2). If released in to the environment, 1.36% 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 180 days (4320 hrs). The half-life (180 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 test chemical C.I. Solvent Red 49 in sediment is estimated to be 1620.833 days (38900 hrs). Based on this half-life value (1620.833 days), it indicates that the chemical C.I. Solvent Red 49 is persistent in sediment.