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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmental Modelling Centre; Trent University Peterborough, Ontario, Canada. Version 2.11 (1999).

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2008

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Fugacity-Based Environmental Equilibrium Partitioning Model; Environmental 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:
2-chlorotoluene
EC Number:
202-424-3
EC Name:
2-chlorotoluene
Cas Number:
95-49-8
Molecular formula:
C7H7Cl
IUPAC Name:
1-chloro-2-methylbenzene
Test material form:
liquid
Details on test material:
purity not specified, or relating to pure substance in case of QSAR

Results and discussion

Percent distribution in media

Air (%):
99.7
Water (%):
0.2
Soil (%):
0.05
Sediment (%):
0.05
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Calculation was performed according to the model described in the first publication of Mackay (1991). Phase properties and composition of the compartments were modified as suggested by the Federal Environmental Agency (UBA, Germany).

Applicant's summary and conclusion

Executive summary:

The distribution of 1 -chloro-2 -methylbenzene in a "unit world" was calculated according to the Mackay fugacity model level I (Currenta, 2008) assuming the air as target compartment receiving 99.7 % of the test item, followed by water (0.2 %), soil (0.05 %) and sediment (0.05 %).