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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2005
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Unnamed
Year:
1996
Reference Type:
other: Mathematical model
Title:
Unnamed
Year:
2003

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
Reference substance name:
Alcohols, C9-C11-branched
IUPAC Name:
Alcohols, C9-C11-branched

Study design

Test substance input data:
MW = 172.31
Temperature = 25C
Water Solubility = 28.1 mg/L
Vapor Pressure = 1.14 Pa
Pow = 4.2
Melting Point = -72C

Results and discussion

Percent distribution in media

Air (%):
2.5
Water (%):
26.8
Soil (%):
70.5
Sediment (%):
0.2

Any other information on results incl. tables

The potential environmental distribution of isoundecanol in 4 environmental compartments as calculated using a fugacity model, the Mackay Level III, under the default emission scenario (1000 kg/h into each of air water and soil compartments) with half-life data set (see above) is shown below:

Relative distribution when released (see half-life values above):

Air
           2.5%
Soil
          70.5%
Water
        26.8%
Sediment
     0.2%


Applicant's summary and conclusion

Conclusions:
The Mackay Level III equilibrium model estimates that Alcohols, C9-C11, branched will partition largely to the soil compartment (approximately 70%), followed by the water (approximately 27%) and minimally to the air and sediment compartments (2.5 and 0.2%, respectively), based on all available measured data.
Executive summary:

The Mackay Level III equilibrium model estimates that Alcohols, C9-C11, branched will partition largely to the soil compartment (approximately 70%), followed by the water (approximately 27%) and minimally to the air and sediment compartments (2.5 and 0.2%, respectively), based on all available measured data.