Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
other information
Study period:
2002
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:
publication
Title:
Calculation of the environmental distribution of isophorone according to fugacity model Mackay Level I.
Author:
UBA (Umweltbundesamt). Federal Environmental Agency (Umweltbundesamt).
Year:
2002
Bibliographic source:
Berlin (Germany)

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
no data
Release year:
2 002
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
Isophorone

Study design

Test substance input data:
Molar mass (g/mol): 138.21
Vapour pressure (Pa): 40
Water solubility (g/l): 14.5
log Kow: 1.67
Environmental properties:
Temperature (°C): 20

Volumes in unit world (m3):
Air: 6 000 000 000
Water: 7 000 000
Soil: 45 000
Sediment: 21 000
Susp. sediment: 35
Biota (fish): 7

Results and discussion

Percent distribution in media

Air (%):
11.75
Water (%):
87.62
Soil (%):
0.32
Sediment (%):
0.3
Susp. sediment (%):
0.001
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Aerosol: not considered

Applicant's summary and conclusion

Conclusions:
The target compartment of the equilibrium environmental distribution of isophorone is water (87.62 %), followed by air (11.75 %). The low percentages in other compartments reflect the low bioaccumulation and adsorption potential of isophorone.
Executive summary:

The target compartment of the equilibrium environmental distribution of isophorone according to Mackay Level 1 (excluding Aerosol) is water (87.62 %), followed by air (11.75 %).