Registration Dossier

Administrative data

Link to relevant study record(s)

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
Reference:
Composition 1
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model by EPI Suite estimation database
GLP compliance:
not specified
Test material information:
Composition 1
Specific details on test material used for the study:
- Name ( regulatory process): 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate

- Name of test material (as cited in study report): Acetamide, N- 3- bis 2-(acetyloxy)ethyl amino phenyl

- Molecular formula : C16H22N2O5

- Molecular weight : 322.359 g/mole

- Smiles notation : O=C(OCCN(c1cccc(NC(=O)C)c1)CCOC(=O)C)C
- InChl: 1S/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)

- Substance type: Organic
-Physical state: white to off white coloured powder
Radiolabelling:
not specified
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Details on study design:
Level III Fugacity model
EPI Suite contains a Level III fugacity model. In general, fugacity models predict the partitioning of an organic compound in an evaluative environment. A Level III model assumes steady-state but not equilibrium conditions. The Level III model in EPI Suite predicts partitioning between air, soil, sediment and water using a combination of default parameters and various input parameters that may be user defined or estimated by other programs within EPI Suite.

The model environment consists of 4 main compartments: air, water sediment and soil. There are also sub-compartments such as an aerosol phase, suspended solids, and biota phase, within specific main compartments. A fixed temperature of 25ᵒC is assumed. Mass transport between the compartments via volatilization, diffusion, deposition and runoff are modeled. level III models is a steady state, non-equilibrium model. Steady state conditions mean that the change in concentration of a chemical in each compartment (i) with respect to time eventually approaches zero. The model does not assume that a common equilibrium (fugacity) exists between the phases, so if a chemical is emitted into one compartment it can partition to the other compartments. Loss of chemical occurs through two processes: reaction and advection. Reaction is the biotic or abiotic degradation of the chemical that is calculated using the user specified or model calculated half-lives of the chemical in each of the 4 main compartments. Advection processes are considered for the air, water and sediment compartments. Advection is the removal of chemical from a compartment through losses other than degradation (reaction). The rate of advection in a given compartment is determined by a flow rate (m3/hour), calculated by dividing the volume of the compartment by an advection time.
Compartment:
water
% Recovery:
31.6
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
0.083
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
37.5 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
337.5 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
Half-life:
37.5 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
Half-life:
337.5 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

31.6

900

1000

Sediment

0.083

8100

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.75e-020

888

1150

29.6

38.4

Sediment

1.69e-020

0.259

0.0606

0.00864

0.00202

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate (CAS No: 27059-08-1) in water was 37.5 days (900 hrs) and in sediment estimated to be 337.5 days ( 8100 hrs).
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 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate (CAS No: 27059 -08 -1). If released in to the environment, 31.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 2,2'-[(3- acetamidophenyl)imino]diethyl diacetate in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate in sediment is estimated to be 337.5 days (8100 hrs).  However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.083 %), indicates that test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate 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 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate (CAS No: 27059 -08 -1). If released in to the environment, 31.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 2,2'-[(3- acetamidophenyl)imino]diethyl diacetate in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate in sediment is estimated to be 337.5 days (8100 hrs).  However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.083 %), indicates that test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate is not persistent in sediment.

Key value for chemical safety assessment

Half-life in water:
37.5 d
at the temperature of:
25 °C
Half-life in sediment:
337.5 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 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate (CAS No: 27059 -08 -1). If released in to the environment, 31.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 2,2'-[(3- acetamidophenyl)imino]diethyl diacetate in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate in sediment is estimated to be 337.5 days (8100 hrs).  However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.083 %), indicates that test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate is not persistent in sediment.