Registration Dossier
Registration Dossier
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EC number: 203-536-5 | CAS number: 107-95-9
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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- other: Calculation Program
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Fugacy-Based Evironmental Equilibrium Partitioning Model (Version 3.00)
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- β-alanine
- EC Number:
- 203-536-5
- EC Name:
- β-alanine
- Cas Number:
- 107-95-9
- Molecular formula:
- C3H7NO2
- IUPAC Name:
- β-alanine
Constituent 1
Study design
- Test substance input data:
- - Data temperature: 25°C
- molar mass: 89.09 g/mol
- Water solubility: 4.71E+05 mg/l
- Vapour pressure: 6.75E-06 Pa
- Melting Point: 197 °C
- log Kow: -3.00 - Environmental properties:
- Volumen Density Organic Carbon Fish Lipid
[m3] [kg/m3] [g/g] [g/g]
Air: 6.00E+09 1.19
Aerosol: 0.12 1500
Water: 7.00E+06 1000
Suspended Particles 35 1500 0.167
Fish 7 1000 0.05
Soil 45000 1500 0.02
Sediment 21000 1300 0.05
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 100
- Soil (%):
- 0
- Sediment (%):
- 0
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
Any other information on results incl. tables
Using the calculation model of Mackay Level I for beta-alanine the sojourn probability in the environmental compartment water is calculated to be almost 100%.
Applicant's summary and conclusion
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