Registration Dossier
Registration Dossier
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EC number: 453-460-3 | CAS number: -
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 05 May 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Validated calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- EPISUITE
- Release year:
- 2 012
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- -
- EC Number:
- 453-460-3
- EC Name:
- -
- Cas Number:
- 65870-97-5
- Molecular formula:
- C64H118O13
- IUPAC Name:
- Hexanoic acid, 3,5,5-trimethyl-, 1,1'-[oxybis[2,2-bis[[(3,5,5-trimethyl-1-oxohexyl)oxy]methyl]-3,1-propanediyl]] ester
1
Results and discussion
Percent distribution in media
- Air (%):
- 0.045
- Water (%):
- 6.47
- Soil (%):
- 93.5
- Sediment (%):
- 0
Applicant's summary and conclusion
- Conclusions:
- The substance is predicted to partition to soil (approximately 93.5 %).
- Executive summary:
Distribution of the substance was predicted using a Level III Fugacity model. The material is predicted to partition mainly to soil (approximately 93.5 %).
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