Registration Dossier
Registration Dossier
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EC number: 212-855-9 | CAS number: 873-94-9
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
- Study period:
- 2010-03-18
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Self-made, equivalent to Level I V. 2.11 with standard settings
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 3,3,5-trimethylcyclohexan-1-one
- EC Number:
- 212-855-9
- EC Name:
- 3,3,5-trimethylcyclohexan-1-one
- Cas Number:
- 873-94-9
- Molecular formula:
- C9H16O
- IUPAC Name:
- 3,3,5-trimethylcyclohexan-1-one
- Details on test material:
- 3,3,5-Trimethylcyclohexanone of Evonik Degussa GmbH, batch no. 120S090731 of 31 July 2009, purity > 99 %.
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 140.23 g/mol
log Kow: 2.60
Vapour pressure: 60 Pa
Water solubility: 3.16 g/l
Melting point: -11.7 °C - Environmental properties:
- Air: 6 000 000 000 m³, 1.206 kg/m³
Water: 7 000 000 m³, 1000 kg/m³
Soil: 45 000 m³, 1500 kg/m³, 2 % OC
Sediment: 21 000 m³, 1300 kg/m³, 5 % OC
Susp. sediment: 35 m³, 1500 kg/m³, 16.7 % OC
Fish: 7 m³, 1000 kg/m³, 5 % fat
Aerosol: 0.12 m³, 1500 kg/m³
Temperature: 20 °C
Results and discussion
Percent distribution in media
- Air (%):
- 46.792
- Water (%):
- 49.973
- Soil (%):
- 1.603
- Sediment (%):
- 1.621
- Susp. sediment (%):
- 0.01
- Biota (%):
- 0.001
- Aerosol (%):
- 0
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation the main target compartments for 3,3,5-trimethylcyclohexanone will be the hydrosphere (50.0 %) and the atmosphere (46.8 %), followed by sediment and soil (1.6 % each).
- Executive summary:
According to a Mackay Level I model calculation the main target compartments for 3,3,5-trimethylcyclohexanone will be the hydrosphere (50.0 %) and the atmosphere (46.8 %), followed by sediment and soil (1.6 % each).
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