Registration Dossier
Registration Dossier
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EC number: 201-944-8 | CAS number: 89-83-8
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: generally accepted calculation method
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
- Release year:
- 1 999
- Media:
- other: air-biota-sediment(s)-soil-water-aerosol
Test material
- Reference substance name:
- Thymol
- EC Number:
- 201-944-8
- EC Name:
- Thymol
- Cas Number:
- 89-83-8
- Molecular formula:
- C10H14O
- IUPAC Name:
- 5-methyl-2-(propan-2-yl)phenol
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 10.6
- Water (%):
- 67.8
- Soil (%):
- 10.7
- Sediment (%):
- 10.8
- Susp. sediment (%):
- 0.1
- Biota (%):
- 0.01
- Aerosol (%):
- 0.02
Any other information on results incl. tables
In the Mackay fugacity model level I is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried at an environmental temperature of 25 °C.
Applicant's summary and conclusion
- Executive summary:
The distribution of thymol in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for thymol is water with 67.8 %, followed by soil and sediment with 10.7 and 10.8 % respectively and air with 10.6 % (Currenta, 2010).
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