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EC number: 253-760-2 | CAS number: 38051-10-4
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: reliable calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- European Union Risk Assessment Report "2,2-Bis(chloromethyl)trimethylene bis[bis(2-chloroethyl)phophate]" (V6), CAS 38051-10-4
- Author:
- European Commission
- Year:
- 2 008
- Reference Type:
- other: (Q)SAR model
- Title:
- MacKay Level III model, version 2.17
- Author:
- Environmental Modeling Centre, Trent University, Canada
- Year:
- 1 999
- Bibliographic source:
- http://www.trentu.ca/academic/aminss/envmodel/models/VBL2.html
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Release year:
- 1 999
- Media:
- other: air - water - soil - sediment
Test material
- Reference substance name:
- 2,2-bis(chloromethyl)trimethylene bis(bis(2-chloroethyl)phosphate)
- EC Number:
- 253-760-2
- EC Name:
- 2,2-bis(chloromethyl)trimethylene bis(bis(2-chloroethyl)phosphate)
- Cas Number:
- 38051-10-4
- Molecular formula:
- C13H24Cl6O8P2
- IUPAC Name:
- 2,2-bis(chloromethyl)propane-1,3-diyl tetrakis(2-chloroethyl) bis(phosphate)
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 583 g/mol
Water solubility: 232 mg/L at 20˚C
Vapour pressure: 2.75 x 10-6 Pa at 25˚C
Freezing Point: < - 50.5˚C
log Kow: 2.83 - Environmental properties:
- EU default parameters.
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 10.1
- Soil (%):
- 89.8
- Sediment (%):
- 0.05
- Other distribution results:
- Results above are for scenario assuming equal release to all compartments
Any other information on results incl. tables
Table 5.4.3. Output of fugacity model for various release scenarios
To air, water and soil |
To air |
To water |
To soil |
|
% in air |
0 |
0.002 |
0 |
0 |
% in soil |
89.8 |
93.0 |
0 |
93.2 |
% in water |
10.1 |
7.0 |
99.5 |
6.72 |
% in sediment |
0.05 |
0.03 |
0.48 |
0.03 |
Applicant's summary and conclusion
- Conclusions:
- The results reflect that most of the test substance found in air would be precipitated to soil, and that there is very little movement between soil and water, because transfer via the air compartment is very slow. In water, the modelled adsorption to sediment is very low.
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