Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: generally accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

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, Ontario, Canada. Version 2.11 (1999).
Release year:
1 999
Media:
other: air-biota-sediment(s)-soil-water-aerosol

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
results related to pure substance

Results and discussion

Percent distribution in media

Air (%):
10.6
Water (%):
67.8
Soil (%):
10.7
Sediment (%):
10.8
Susp. sediment (%):
0.1
Biota (%):
0.01
Aerosol (%):
0.02

Any other information on results incl. tables

In the Mackay fugacity model level I 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 thymol in a "unit world" was calculated according to the Mackay fugacity model level I based on the physico-chemical properties. The main target compartment for thymol is water with 67.8 %, followed by soil and sediment with 10.7 and 10.8 % respectively and air with 10.6 % (Currenta, 2010).