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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

Administrative data

Endpoint:
biodegradation in water: sediment simulation testing
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Prediction model
Title:
Biodegradation in water and sediment by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2011
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
Level III Fugacity Model
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(3-aminophenyl)sulphonyl] hydrogensulphate
EC Number:
219-668-1
EC Name:
2-[(3-aminophenyl)sulphonyl] hydrogensulphate
Cas Number:
2494-88-4
Molecular formula:
C8H11NO6S2
IUPAC Name:
[2-(3-aminobenzenesulfonyl)ethoxy]sulfonic acid
Radiolabelling:
not specified

Study design

Oxygen conditions:
not specified
Inoculum or test system:
natural water / sediment
Parameter followed for biodegradation estimation:
test mat. analysis
Details on study design:
Persistence Time : 1.36e+003 hr
Reaction Time : 2.07e+003 hr
Reference substance
Reference substance:
not specified

Results and discussion

Mean total recoveryopen allclose all
Compartment:
other: water, material (mass) balance
% Recovery:
25.5
Compartment:
other: sediment, material (mass) balance
% Recovery:
0.086
% Degradationopen allclose all
% Degr.:
50
Parameter:
test mat. analysis
Remarks on result:
other: Emissions (kg/hr) :1000
% Degr.:
50
Parameter:
test mat. analysis
Remarks on result:
other: Emissions(kg/hr):0
Half-life of parent compound / 50% disappearance time (DT50)open allclose all
Compartment:
water
DT50:
900 h
Type:
not specified
Compartment:
sediment
DT50:
8 100 h
Type:
not specified
Transformation products:
no
Identity of transformation products
No.:
#1
Reference
Reference substance name:
Unnamed
IUPAC name:
[2-(3-aminobenzenesulfonyl)ethoxy]sulfonic acid
Inventory number:
InventoryMultipleMappingImpl [inventoryEntryValue=EC 219-668-1]
CAS number:
2494-88-4
Identity:
2-[(3-aminophenyl)sulphonyl]_hydrogensulphate
Identity:
2-[(3-aminophenyl)sulfonyl]ethyl hydrogen sulfate
Molecular formula:
C8H11NO6S2
Molecular weight:
281.306
SMILES notation:
Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O
InChl:
InChI=1/C8H11NO6S2/c9-7-2-1-3-8(6-7)16(10,11)5-4-15-17(12,13)14/h1-3,6H,4-5,9H2,(H,12,13,14)

Applicant's summary and conclusion

Validity criteria
Validity criteria fulfilled:
yes
Conclusions:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Water 25.5 900 1000
Sediment 0.0855 8.1e+003 0