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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Remarks:
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:
other: Fugacity-Based Environmental Equilibrium Partitioning Model
Title:
The fugacity model level I
Author:
Mackay D
Year:
2001
Bibliographic source:
Multimedia Environmental Models: The fugacity Approach 2nd Edition, Lewis Publishers. Boca, Raton, pp: 1-261. [available on line] , URL: http://www.trentu.ca/cemc/

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 009
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Pyrocatechol
EC Number:
204-427-5
EC Name:
Pyrocatechol
Cas Number:
120-80-9
Molecular formula:
C6H6O2
IUPAC Name:
pyrocatechol

Study design

Test substance input data:
Log Kow: 0.93 (mean value of Klimisch 2 data)
Water Solubility: 517.5 g/L (mean value of data measured at 20°C)
Vapour Pressure: 5 Pa
Melting point : 105 °C
Molecular Weight: 110.1122
Temperature: 25°C

Results and discussion

Percent distribution in media

Water (%):
99.2
Soil (%):
0.75
Sediment (%):
0.02
Other distribution results:
Air: 0.02%

Applicant's summary and conclusion

Conclusions:
Ultimate destination of catechol: WATER.