Registration Dossier
Registration Dossier
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EC number: 806-726-1 | CAS number: -
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 2015-11-20
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Self-made, equivalent to Level I V. 2.11 with standard settings
- Release year:
- 2 012
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Reaction product of 2-[[2-(dimethylamino)ethyl]methylamino]ethanol di(hexanoate) and ethyl oxirane (1:2)
- EC Number:
- 806-726-1
- Cas Number:
- 1407168-93-7
- Molecular formula:
- C27 H58 N2 O7
- IUPAC Name:
- Reaction product of 2-[[2-(dimethylamino)ethyl]methylamino]ethanol di(hexanoate) and ethyl oxirane (1:2)
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 334.49 g/mol
log Kow: -0.625
Vapour pressure: 0.06 Pa
Water solubility: 11.1 g/l
Melting point: -76 °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 (%):
- 0.064
- Water (%):
- 99.933
- Soil (%):
- 0.002
- Sediment (%):
- 0.002
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0.007
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation the main target compartment for the substance will be the hydrosphere (99.933 %).
- Executive summary:
According to a Mackay Level I model calculation the main target compartment for the substance will be the hydrosphere (99.933 %).
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