Registration Dossier
Registration Dossier
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EC number: 616-436-5 | CAS number: 77098-07-8
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
- Study period:
- November 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The registered material is a UVCB substance. Protperties were estimated for the reference substances, 2056-635-2. Estimtion method (EPI Suite) recommended by IUCLID Guidance Documents.
Data source
Reference
- Reference Type:
- other: software program
- Title:
- Estimation Programs Interface (EPI) Suite™ v3.20 for Microsoft® Windows
- Author:
- Anonymous
- Bibliographic source:
- U.S. Environmental Protection Agency, Washington, DC, U.S.A. http://www.epa.gov/opptintr/exposure/pubs/episuite.htm.
Materials and methods
- Model:
- other: EPI Suite v3.20 Level III Fugacity Model
- Media:
- other: air, water, soil, sediment
Test material
- Reference substance name:
- 2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
- EC Number:
- 243-885-0
- EC Name:
- 2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
- Cas Number:
- 20566-35-2
- Molecular formula:
- C15H15Br4O7 (one ring component) C8 H2 Br4 O4 . C4 H10 O3 . C3 H8 O2 Unspecified reaction product of the three components
- IUPAC Name:
- 2-(2-hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
- Details on test material:
- Modeling was based on Reference Substance.
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 8.72
- Soil (%):
- 89.6
- Sediment (%):
- 1.72
Any other information on results incl. tables
Distribution Modeling |
LEVEL III Fugacity Model |
Emissions of 1000 kg/hr to air, water and soil Air: 0.000458%, half-life 8.41 hr Water: 8.72%, half-life 1.44E3 hr (NOTE: this half-life does not take into account the predicted hydrolysis; See HYDROLYSIS) Soil: 89.6%, half-life 2.88E003 hr Sediment: 1.72%, half-life 1.3E004 |
Applicant's summary and conclusion
- Conclusions:
- The modeling indicates that soil is the most important environmental compartment with respect to distribution of the Reference Substance. Fast aerobic biodegradation is not expected based on the STP modeling, however, anaerobic biodegradation may be possible. If applicable to soil, these results suggest the Reference Substance would not biodegrade in the upper aerobic soil levels, but may biodegrade in lower anaerobic levels or in other soil regions where anaerobic conditions exist. Further, hydrolysis is expected with half-lives of 1.363 and 13.69 days at pH 8 and 7, respectively. Thus, the moisture content in soils may allow abiotic degradation, which would proceed at faster rates than biological degradation. The low adsorption coefficient (10) indicates binding to soil will not affect degradation.
The modeling indicates that water is the second most important environmental compartment with respect to distribution of the Reference Substance. However, hydrolysis should substantially impact concentrations. - Executive summary:
The modeling indicates that soil is the most important environmental compartment with respect to distribution of the Reference Substance. Fast aerobic biodegradation is not expected based on the STP modeling, however, anaerobic biodegradation may be possible. If applicable to soil, these results suggest the Reference Substance would not biodegrade in the upper aerobic soil levels, but may biodegrade in lower anaerobic levels or in other soil regions where anaerobic conditions exist. Further, hydrolysis is expected with half-lives of 1.363 and 13.69 days at pH 8 and 7, respectively. Thus, the moisture content in soils may allow abiotic degradation, which would proceed at faster rates than biological degradation. The low adsorption coefficient (10) indicates binding to soil will not affect degradation.
The modeling indicates that water is the second most important environmental compartment with respect to distribution of the Reference Substance. However, hydrolysis should substantially impact concentrations.
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