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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
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 I
Calculation programme:
CEMC model, Trent University, 2004, version 3.00
Release year:
2 004
Media:
other: all

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(2-butoxyethoxy)ethyl acetate
EC Number:
204-685-9
EC Name:
2-(2-butoxyethoxy)ethyl acetate
Cas Number:
124-17-4
Molecular formula:
C10H20O4
IUPAC Name:
2-(2-butoxyethoxy)ethyl acetate

Study design

Test substance input data:
Parameters as per physicochemical summary data, chapter 4. Standard model defaults for environmental parameters
Environmental properties:
As described in the TGD.

Results and discussion

Percent distribution in media

Air (%):
1.04
Water (%):
56.24
Soil (%):
42.15
Sediment (%):
0.58
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion

Executive summary:

Mackay fugacity modelling (level 1) indicates that, in the absence of degradation, the substance partitions the water (56%) and soil (42%) phases, with minimal amounts in other compartments.