Registration Dossier

Administrative data

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

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmetal Modelling Centre; Trent University Peterborough, Onta-rio, 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:
Benzothiazole-2-thiol
EC Number:
205-736-8
EC Name:
Benzothiazole-2-thiol
Cas Number:
149-30-4
Molecular formula:
C7H5NS2
IUPAC Name:
1,3-benzothiazole-2-thiol

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
95.96
Soil (%):
2
Sediment (%):
2.02
Susp. sediment (%):
0.013
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

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

Applicant's summary and conclusion

Executive summary:

The distribution of MBT in a "unit world" was calculated according to the Mackay fugacity model level I (Currenta, 2010) based on the physico-chemical properties. The main target compartment for MBT is water with 95.96 %, followed by soil with 2.00 % and sediment 2.02 %.