Registration Dossier
Registration Dossier
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EC number: 411-490-4 | CAS number: 7027-11-4 ISOPHORONENITRILE, IPN
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:
- calculated 2011-07-07
- 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:
- 2 011
- Report date:
- 2011
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-cyano-3,5,5-trimethylcyclohexanone
- EC Number:
- 411-490-4
- EC Name:
- 3-cyano-3,5,5-trimethylcyclohexanone
- Cas Number:
- 7027-11-4
- Molecular formula:
- C10H15NO
- IUPAC Name:
- 3-cyano-3,5,5-trimethylcyclohexanone
- Reference substance name:
- Reference substance 001
- Details on test material:
- 3-Cyano-3,5,5-trimethylcyclohexanone as used in studies on input data
Constituent 1
Constituent 2
Study design
- Test substance input data:
- Molecular weight: 165.24 g/mol
log Kow: 0.98
Vapour pressure: 0.16 Pa
Water solubility: 4.76 g/l
Melting point: 68.0 °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 (%):
- 0.195
- Water (%):
- 99.652
- Soil (%):
- 0.076
- Sediment (%):
- 0.077
- Susp. sediment (%):
- 0.001
- Biota (%):
- 0
- Aerosol (%):
- 0
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation, the main target compartment for 3-cyano-3,5,5-trimethylcyclohexanone will be the hydrosphere (99.7 %), followed by air (0.2 %).
- Executive summary:
According to a Mackay Level I model calculation, the main target compartment for 3-cyano-3,5,5-trimethylcyclohexanone will be the hydrosphere (99.7 %), followed by air (0.2 %).
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