Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
key study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
other: study report, company data
Title:
Unnamed
Year:
1987
Report date:
1987
Reference Type:
other: Computer model
Title:
Unnamed
Year:
2003
Reference Type:
other: study report, company data
Title:
Unnamed
Year:
1999
Report date:
1999
Reference Type:
publication
Title:
Unnamed
Year:
2001
Reference Type:
other: study report, company data
Title:
Unnamed
Year:
2001
Report date:
2001

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

Constituent 1
Chemical structure
Reference substance name:
Alcohols, C9-11-iso-, C10-rich
EC Number:
271-234-0
EC Name:
Alcohols, C9-11-iso-, C10-rich
Cas Number:
68526-85-2
Molecular formula:
CnH2n+1OH (n = 9 to 11)
IUPAC Name:
Alcohols, C9-11-iso-, C10-rich
Details on test material:
Substance type: commercial substance

Study design

Test substance input data:
MW = 158.29 Temperature = 25C Water Solubility = 75 mg/LVapor Pressure = 3.67 Pa Pow = 3.8

Results and discussion

Percent distribution in media

Air (%):
2.07
Water (%):
26.3
Soil (%):
71.5
Sediment (%):
0.152
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Level III simulation using the Mackay Multimedia Environmental Model (Mackay, 2001). Mass balances are calculated for the four bulk media of air (gas + aerosol), water (solution + suspended sediment + biota), soil, (solids + air + water), and sediment (solids + pore water). Equilibrium exists within, but not between media. Physical-chemical properties are used to quantify a chemical's behavior in an evaluative environment. Three types of chemicals are treated in this model: chemicals that partition into all media (Type 1), non volatile chemicals (Type 2), and chemicals with zero, or near-zero, solubility (Type 3). The model cannot treat ionizing or speciating substances. The Level III model assumes a simple, evaluative environment with user-defined volumes and densities for the following homogeneous environmental media (or compartments): air, water, soil, sediment, suspended sediment, fish and aerosols.
This model provides a description of a chemical's fate including the important degradation and advection losses and the intermedia transport processes. The distribution of the chemical between media depends on how the chemical enters the system, e.g. to air, to water, or to both. This mode of entry also affects persistence or residence time.

The rates of intermedia transport are controlled by a series of 12 transport velocities. Reaction half-lives are requested for all 7 media. The advective residence time selected for air also applies to aerosols and the residence time for water applies to suspended sediment and fish. The advective residence time of aerosols, suspended sediment and fish cannot be specified independently of the air and water residence times.

Applicant's summary and conclusion

Conclusions:
The Mackay Level III equilibrium model estimates that Alcohols, C7-9-iso, C8-rich will partition largely to the soil compartment (approximately 71.5%), followed by the water (approximately 21.6%), air (approximately 2%), and sediment (<1%) compartments, based on all available measured data.
Executive summary:

The Mackay Level III equilibrium model estimates that Alcohols, C7-9-iso, C8-rich will partition largely to the soil compartment (approximately 71.5%), followed by the water (approximately 21.6%), air (approximately 2%), and sediment (<1%) compartments, based on all available measured data.