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EC number: 208-419-2 | CAS number: 527-60-6
Distribution modelling
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:
- 2 002
- Report date:
- 2002
- Reference Type:
- publication
- Title:
- Assessing the fate of new and existing chemicals: a five-stage process.
- Author:
- Mackay et al.
- Year:
- 1 996
- 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:
- 1 996
- 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 substance name:
- 2,4,6-trimethylphenol
- EC Number:
- 208-419-2
- EC Name:
- 2,4,6-trimethylphenol
- Cas Number:
- 527-60-6
- Molecular formula:
- C9H12O
- IUPAC Name:
- 2,4,6-trimethylphenol
Constituent 1
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%.
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