2,2'-[(3-acetamidophenyl)imino]diethyl diacetate

Biodegradation in water and sediment: simulation tests

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

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 ( 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

DT50:

37.5 d

Type:

other: estimated data

Temp.:

25 °C

Remarks on result:

other: Other details not known

Key result

Compartment:

sediment

DT50:

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 freshwater:

37.5 d

at the temperature of:

25 °C

Half-life in freshwater 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.