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Environmental fate & pathways

Distribution modelling

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2004
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Recognised method of fugacity calculations
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
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:
CEMC model, Trent University, 2004, version 2.80.1
Release year:
2 004
Media:
other: all

Test material

Constituent 1
Chemical structure
Reference substance name:
2-butoxyethanol
EC Number:
203-905-0
EC Name:
2-butoxyethanol
Cas Number:
111-76-2
Molecular formula:
C6H14O2
IUPAC Name:
2-butoxyethanol
Details on test material:
not applicable, QSAR method

Study design

Test substance input data:
- Parameters as per physicochemical summary data, chaper 4
- Reaction half-life estimates for
- Air: 17hr (based on information in chapter 5.1.1)
- Water: 208hr (default from EPIWIN, also consistent with biodegradation data)
- Soil: 416hr (EPIWIN default)
- Sediment: 1870hr (EPIWIN default)
- Suspended sediment: 208hr
- Aerosols: 17hr
- Aquatic biota: 208hr
Environmental properties:
- Environmental parameters (size of environmental compartments and character) as per TGD defaults (not Mackay defaults).

Results and discussion

Percent distribution in media

Air (%):
1.01
Water (%):
46.8
Soil (%):
51.9
Sediment (%):
0.37
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Results shown above are for first scenario shown above. Below are shown the compartmental concentrations predicted from a six emission scenarios:

Emission to air (kg/hr)

6000

8500

1000

3000

0

0

Emission to water (kg/hr)

3000

1500

1000

0

3000

0

Emission to soil (kg/hr

1000

0

1000

0

0

3000

Air concentration (ug/m3)

0.71

0.93

.13

.35

negligible

0.026

Water concentration (ug/l)

365

284

120

70.6

192

96.7

Sediment concentration (ug/kg)

46.1

35.9

15.1

8.9

24.2

12.2

Soil concentration (ug/kg)

73.6

79.0

24.3

29.6

negligible

43.3

From thhis, it can be concluded that emissions to the water compartment remain in this compartment (with partitioning to sediment) whilst emissions to soil distribute primarily to soil and water and emissions to air distribute to all three compartments

Applicant's summary and conclusion

Conclusions:
Worse case environmental concentrations in water and soil are predicted to be below 0.7mg/l and air less than 0.1ppb assuming all material produced is emitted to the environment.
Executive summary:

Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in Europe, environmental concentrations under worse case emission conditions in water and soil are predicted to be below 0.4mg/l and 0.075mg/kg respectively and air less than 0.1ppb. This can be considered a worse case prediction as it assumes all product is emitted to atmosphere with no emission control systems used.

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