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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
2010

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

Constituent 1
Chemical structure
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

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