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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Universally accepted model

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
Calculation programme:
The fugacity model was used with the following input:
Molar mass = 124.14 g/mol
Water solubility = 18500 g/m3
Vapour pressure = 14 Pa
Log Kow = 1.47
Melting point = 28°C
Release year:
2 007
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Guaiacol
EC Number:
201-964-7
EC Name:
Guaiacol
Cas Number:
90-05-1
Molecular formula:
C7H8O2
IUPAC Name:
Phenol

Results and discussion

Percent distribution in media

Air (%):
1.83
Water (%):
96.35
Soil (%):
1.78

Applicant's summary and conclusion