Registration Dossier

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:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2006
Report Date:
2006

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.00, Trent University (2004)
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent

Study design

Test substance input data:
Molecular weight: 222.29 g/mol
log Pow: 4.75
Vapour pressure: 0.0635 Pa
Water solubility: 0.015 g/l
Melting point: -60 °C
Environmental properties:
Volumes, densities, and organic carbon / fat concentration:
Air: 6 000 000 000 m3, 1.206 kg/m3
Water: 7 000 000 m3, 1000 kg/m3
Soil: 45 000 m3, 1500 kg/m3, 2 % OC
Sediment: 21 000 m3, 1300 kg/m3, 5 % OC
Susp. sediment: 35 m3, 1500 kg/m3, 16.7 % OC
Fish: 7 m3, 1000 kg/m3, 5 % fat
Aerosol: 0.12 m3, 1500 kg/m3

Temperature: 20 °C

Results and discussion

Percent distribution in media

Air (%):
3.211
Water (%):
9.703
Soil (%):
43.146
Sediment (%):
43.626
Susp. sediment (%):
0.28
Biota (%):
0.027
Aerosol (%):
0.006

Applicant's summary and conclusion

Conclusions:
Distribution modelling according to Mackay Level I indicates that the main target compartments will be soil and sediment with approximately 43 % each, followed by water with about 10 %. Environmental distribution considerations for isophorone diisocyanate are of little relevance because the reaction with water is expected to eliminate the substance from the environment rapidly.
Executive summary:

Distribution modelling according to Mackay Level I indicates that the main target compartments will be soil and sediment with approximately 43 % each, followed by water with about 10 %. Environmental distribution considerations for isophorone diisocyanate are of little relevance because the reaction with water is expected to eliminate the substance from the environment rapidly.