Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
other: Mackay level 3 calculation
Title:
Unnamed
Year:
2002
Report Date:
2002
Reference Type:
publication
Title:
Assessing the fate of new and existing chemicals: a five-stage process.
Author:
Mackay et al.
Year:
1996
Bibliographic source:
Environ. Toxicol. Chem. 15(9): 1618-1626. and
Reference Type:
publication
Title:
Evaluating the environmental fate of a variety of types of chemicals using the EQC model
Author:
Mackay et al
Year:
1996
Bibliographic source:
Environ. Toxicol. Chem. 15(9): 1627-1637.

Materials and methods

Model:
calculation according to Mackay, Level III
Release year:
2 002
Media:
other: Air, water, soil and sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
- Name of test material: 2,4,6-Trimethylphenol (TMP)

Study design

Test substance input data:
- Water solubility: 1010 mg/L (25°C)
- Vapour pressure: 0.050 mm Hg (6.66 Pa and 25°C)
- log Kow: 2.73
- Melting point: average 73.0 °C
- Abiotic processes: TMP does not undergo hydrolysis but is subject to photooxidation in the atmosphere
- Atmospheric half-life of 10.5 hours
- Water and soil biodegradation half-lives of 900 hours
- Sediment half-life of 3600 hours

Environmental properties:
Distribution modeling was based on assuming equal emissions to air, water, and soil

Results and discussion

Percent distribution in media

Air (%):
0.773
Water (%):
31.7
Soil (%):
67.2
Sediment (%):
0.336

Applicant's summary and conclusion

Conclusions:
The results of the distribution modeling (assuming equal emissions to air, water, and soil) were: Air 0.773%, Water 31.7%, Soil 67.2%, and Sediment 0.336%.

Executive summary:

The fugacity-based distribution model was based on the Trent University Modeling Center's EQuilibrium Concentration model (EQC) Level 3 model, version 1.01. The results of the distribution modeling (assuming equal emissions to air, water, and soil) were: Air 0.773%, Water 31.7%, Soil 67.2%, and Sediment 0.336%.