Registration Dossier
Registration Dossier
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EC number: 271-233-5 | CAS number: 68526-84-1
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- Unnamed
- Year:
- 1 996
- Reference Type:
- other: Mathematical model
- Title:
- Unnamed
- Year:
- 2 003
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Level III simulation using the Mackay Multimedia Environmental Model, version 2.80, released 2004, available at the Canadian Environmental Modelling Centre, Trent University, Canada.
- Release year:
- 2 003
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Details on test material:
- - Substance type: Commercial product
-Molecular weight: 144.25
Constituent 1
Study design
- Test substance input data:
- MW = 144.26
Temperature = 25C
Water Solubility = 267 mg/L
Smiles used: OCCC(C)CC(C)CC; log Pow 3.5.
Vapor Pressure = 12.09 Pa
Pow = 3.22
Melting Point = -14.04C
Results and discussion
Percent distribution in media
- Air (%):
- 2.12
- Water (%):
- 29.5
- Soil (%):
- 68.2
- Sediment (%):
- 0.12
Applicant's summary and conclusion
- Conclusions:
- The Mackay Level III equilibrium model estimates that Alcohols, C8-10-iso-, C9-rich, will partition largely to the soil compartment (approximately 68%), followed by the water (approximately 30%) and minimally to the air and sediment compartments (2 and 0.1%, respectively), based on all available measured data.
- Executive summary:
The Mackay Level III equilibrium model estimates that Alcohols, C8-10-iso-, C9-rich, will partition largely to the soil compartment (approximately 68%), followed by the water (approximately 30%) and minimally to the air and sediment compartments (2 and 0.1%, respectively), based on all available measured data.
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