Registration Dossier
Registration Dossier
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EC number: 615-086-0 | CAS number: 70225-05-7
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:
- 2010 calculated
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The reliability rating was 2 because the data were calculated
Data source
Reference
- Reference Type:
- other: Computer model
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
- Model:
- other: EPI Suite v4.11 Level III fugacity model
- Calculation programme:
- Level III fugacity model
- Release year:
- 2 000
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
- IUPAC Name:
- Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
- Details on test material:
- SMILES notation used: CC(CCCCCCCOC(=O)(c1cc(C(=O)(OCCCCCCCC(C)C))c(C(=O)(OCCCCCCCCCCC(C)C))cc1))C. This represent one of many possible isomeric structures for the ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride, the registrant test substance
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.114
- Water (%):
- 12.4
- Soil (%):
- 87.5
- Sediment (%):
- 0.019
- Susp. sediment (%):
- 0
- Biota (%):
- 0
- Aerosol (%):
- 0
Applicant's summary and conclusion
- Conclusions:
- The EPI Suite Level III fugacity model estimates that the test substance will distribute mainly into the soil compartment (87.5%), followed by the water compartment (12.4%), air compartment (0.114%) and sediment (0.0194%), based on the calculated values from EPI Suite and SMILES input. Hence, the distribution/transport Level III fugacity model estimates that the test substance will partition largely mainly into the soil and water compartments with very little into sediment and air.
- Executive summary:
The EPI Suite Level III fugacity model estimates that the test substance will distribute mainly into the soil compartment (87.5%), followed by the water compartment (12.4%), air compartment (0.114%) and sediment (0.0194%), based on the calculated values from EPI Suite and SMILES input. Hence, the distribution/transport Level III fugacity model estimates that the test substance will partition largely mainly into the soil and water compartments with very little into sediment and air.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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