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Administrative data

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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).
Release year:
1 999
Media:
other: air-biota-sediment(s)-soil-water-aerosol

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
429-280-6
EC Name:
-
Cas Number:
151900-44-6
Molecular formula:
Hill formula: C36H40N2S6 CAS formula: C36H40N2S6
IUPAC Name:
N,N-dibenzyl({6-[(dibenzylcarbamothioyl)disulfanyl]hexyl}disulfanyl)carbothioamide
Constituent 2
Reference substance name:
Carbamo(dithioperoxo)thioic acid, bis(phenylmethyl)-, 1,6-hexandiylester
IUPAC Name:
Carbamo(dithioperoxo)thioic acid, bis(phenylmethyl)-, 1,6-hexandiylester
Details on test material:
results related to pure substance

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
0
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.32
Biota (%):
0.03
Aerosol (%):
0

Any other information on results incl. tables

In the model Vulcuren is treated as a type 1 chemical, i.e. the chemical partitions into all environmental media. Estimation is carried out at an environmental temperature of 25 °C.

Applicant's summary and conclusion

Executive summary:

The distribution of Vulcuren in a "unit world" was calculated according to the Mackay fugacity model level I (Currenta, 2009) based on the physico-chemical properties. The main target compartments for Vulcuren are sediment with 50.1 % and soil with 49.5 %.