Registration Dossier
Registration Dossier
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EC number: 221-130-6 | CAS number: 3010-02-4
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:
- other: Scientifically acceptable method
Data source
Reference
- Reference Type:
- other: Mackay Level I calculation
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level I Version 3.0
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- (diethylamino)acetonitrile
- EC Number:
- 221-130-6
- EC Name:
- (diethylamino)acetonitrile
- Cas Number:
- 3010-02-4
- Molecular formula:
- C6H12N2
- IUPAC Name:
- 2-(diethylamino)acetonitrile
- Details on test material:
- - Name of test material (as cited in study report): Acetonitrile, (diethylamino)-
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 112.18 g/mol (EpiWin)
- Data temperature: 20 °C (EpiWin)
- Water solubility: 2.546E+06 mg/L (WSKOW v1.42; EPISuite v4.11)
- Vapour pressure: 200 Pa (BASF AG, 1991; BRU 91.415)
- log Pow: 0.48 (BASF AG, 1989; 104217/04)
- Melting point: -6 °C (BASF SE, 2015; 15S00600) - Environmental properties:
- Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.19
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500
Results and discussion
Percent distribution in media
- Air (%):
- 3
- Water (%):
- 97
- Soil (%):
- 0
- Sediment (%):
- 0
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
Any other information on results incl. tables
Over time, the substance will preferentially distribute into the compartment water (97%) and air (3%).
The data refer to the uncharged molecule.
Applicant's summary and conclusion
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