Registration Dossier
Registration Dossier
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EC number: 258-004-5 | CAS number: 52556-42-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- SimpleBox 3.24
- Release year:
- 2 007
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Sodium 3-(allyloxy)-2-hydroxypropanesulphonate
- EC Number:
- 258-004-5
- EC Name:
- Sodium 3-(allyloxy)-2-hydroxypropanesulphonate
- Cas Number:
- 52556-42-0
- Molecular formula:
- C6H12O5S.Na
- IUPAC Name:
- sodium 2-hydroxy-3-(prop-2-en-1-yloxy)propane-1-sulfonate
- Reference substance name:
- Sodium hydroxide
- EC Number:
- 215-185-5
- EC Name:
- Sodium hydroxide
- Cas Number:
- 1310-73-2
- Molecular formula:
- HNaO
- IUPAC Name:
- sodium hydroxide
- Reference substance name:
- 3-(allyloxy)propane-1,2-diol
- EC Number:
- 204-620-4
- EC Name:
- 3-(allyloxy)propane-1,2-diol
- Cas Number:
- 123-34-2
- Molecular formula:
- C6H12O3
- IUPAC Name:
- 3-(allyloxy)propane-1,2-diol
- Reference substance name:
- disodium 2-hydroxy-3-(3-sulfonatopropoxy)propane-1-sulfonate
- Molecular formula:
- C6H12Na2O8S2
- IUPAC Name:
- disodium 2-hydroxy-3-(3-sulfonatopropoxy)propane-1-sulfonate
- Test material form:
- solid: particulate/powder
- Details on test material:
- light yellow powder
Constituent 1
additive 1
impurity 1
impurity 2
Study design
- Test substance input data:
- - Molar mass: 218.20
- Data temperature: 20 °C
- Water solubility: 781 g/L
- Vapour pressure: 0.000205 Pa
- log Pow: -1.51
- Mineral matter - water partition coefficient
- Melting point:
- Reaction half-life estimates for
- Air:
- Water:
- Soil:
- Sediment:
- Suspended sediment:
- Aerosols:
- Aquatic biota:
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 98.93
- Soil (%):
- 0.15
- Sediment (%):
- 0.81
- Biota (%):
- 0.03
- Other distribution results:
- distribution (regional scale): air 0.0 %, freshwater 62.14 %, marine water 6.96 %, soil 30.36 %, sediment (freshwater) 0.51 %, sediment (marine) 0.02 %, biota 0.0 %
Applicant's summary and conclusion
- Conclusions:
- Based on the results of the modelling freshwater is the major compartment of concern on local scale. Distribution in all other compartments is negligible.
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