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Diss Factsheets

Environmental fate & pathways

Distribution modelling

Currently viewing:

Administrative data

Endpoint:
distribution modelling
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
1996
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Model considered reliable and the main basis for fugacity modelling.

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Evaluating the environmental fate of a variety of types of chemicals using the EQC model.
Author:
Mackay, D. DiGuardo, A., Paterson, S. and Cowan, C.
Year:
1996
Bibliographic source:
Env. Toxicol. Chem. 15(9):1627-1637.
Reference Type:
secondary source
Title:
No information
Author:
See http://www.trentu.ca/academic/aminss/envmodel/EQCD.html
Reference Type:
publication
Title:
Multimedia Environmental models, the fugacity approach-second edition
Author:
Mackay D
Year:
2001
Bibliographic source:
Lewis, Boca Raton

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Mackay fugacity model III version 2.80.1
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Ethyl acetate
EC Number:
205-500-4
EC Name:
Ethyl acetate
Cas Number:
141-78-6
Molecular formula:
C4H8O2
IUPAC Name:
ethyl acetate
Details on test material:
not applicable.

Study design

Test substance input data:
- Data temperature: 20 degC
- Physicochemical properties as in chapter 4
- MWt: 46.09 g/mol
- Reaction half-life estimates for
- Air: 203 hr (Graedel, 1978)
- Water: 182 hr (from biodegradation data)
- Soil: 364 hr (from biodegradation data x2 - usual default practice in EPISUITE)
- Sediment: 1638hrs (4.5x soil, default practice in EPISUITE)
Environmental properties:
EU TGD defaults for compartment sizes.

Results and discussion

Percent distribution in media

Air (%):
51.3
Water (%):
35.3
Soil (%):
13.3
Sediment (%):
0.27
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Results above are for first scenario shown below.

Results shown below are for the standard 1000kg per compartment, to demonstrate how sensitive each compartment is to direct emissions, plud emissions based on more a more realistic (albeit very conservative) profile of 3000kg/hr to air, 1000kg/hr to water and 300kg/hr to soil. This is based on the assumption that approximate emissions from all uses (primarily industrial) are ~10% to air (assuming compliance to VOC emission legislation), ~3% to water, ~1% to soil. The total emissions are considered representative of estimated total production in the EU.

Emission to air (kg/hr)

3000

1000

0

0

Emission to water (kg/hr)

1000

0

1000

0

Emission to soil (kg/hr)

300

0

0

1000

Air concentration (ug/m3)

3.24

0.88

0.45

0.55

Water concentration (ug/l)

30.7

0.17

28.1

7.18

Sediment concentration (ug/kg)

2.71

0.01

2.48

0.63

Soil concentration (ug/kg)

1.69

0.04

0.02

5.14

Applicant's summary and conclusion

Conclusions:
Environmental background levels at regional and continental levels from emissions of ethyl acetate during use are not likely to be of concern.
Executive summary:

Level III fugacity calculations based on realistic emissions quantities predict that environmental levels of ethyl acetate will be very low (<30ug/l in water, <1.7ug/kg in soil, <2.7ug/kg in sediment and <3.3ug/m3 in air.)