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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:
not applicable
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-methoxyethoxy)ethanol
EC Number:
203-906-6
EC Name:
2-(2-methoxyethoxy)ethanol
Cas Number:
111-77-3
Molecular formula:
C5H12O3
IUPAC Name:
2-(2-methoxyethoxy)ethanol
Details on test material:
not applicable

Study design

Test substance input data:
Parameters as per physicochemical summary data, chaper 4
Environmental properties:
As described in the TGD.

Results and discussion

Percent distribution in media

Air (%):
1.22
Water (%):
98.15
Soil (%):
0.61
Sediment (%):
0.01
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Applicant's summary and conclusion

Conclusions:
Substance will primarily partition to the aqueous phase
Executive summary:

Mackay fugacity modelling (level 1) indicates that, in the absence of degradation, virtually all of the substance (>98%) would partition to the aqueous phase. Of the remaining amount, this is partitioned approximately 2:1 between the air and soil.