Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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

Constituent 1
Chemical structure
Reference substance name:
Thymol
EC Number:
201-944-8
EC Name:
Thymol
Cas Number:
89-83-8
Molecular formula:
C10H14O
IUPAC Name:
5-methyl-2-(propan-2-yl)phenol

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).