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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Remarks:
estimated by calculation
Adequacy of study:
key study
Study period:
up to 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR calculation, acceptable with restrictions
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: computer model
Title:
Unnamed
Year:
2009

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPISuite v.4.0
Release year:
2 008
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Reference substance name:
Reference substance 003
Cas Number:
77-73-6
Specific details on test material used for the study:
SMILES: C(C(C=CC12)C1)(C2C=C3)C3
CAS number: 77-73-6

Study design

Test substance input data:
N/A
Environmental properties:
N/A

Results and discussion

Percent distribution in media

Air (%):
0.539
Water (%):
57.1
Soil (%):
39.5
Sediment (%):
2.91
Other distribution results:
Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (h) (kg/h) Air 0.539 0.521 1000 Water 57.1 360 1000 Soil 39.5 720 1000 Sediment 2.91 3.24e+003 0 Persistence Time: 108 h

Any other information on results incl. tables

Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (h) (kg/h) Air 0.539 0.521 1000 Water 57.1 360 1000 Soil 39.5 720 1000 Sediment 2.91 3.24e+003 0 Persistence Time: 108 h

Applicant's summary and conclusion

Conclusions:
Results from the Level III fugacity model are:
Level III Fugacity Model
Mass Amount (%) Half-Life (hr) Emissions (kg/hr)
Air 0.539 0.521 1000
Water 57.1 360 1000
Soil 39.5 720 1000
Sediment 2.91 3240 0
Persistence time: 108 h
Executive summary:

EpiSuite v.4.0 has provided Level III fugacity model showing distribution of the substance. This method is considered adquate for assessment. Distribution of the substance is Air 0.5%, Water 57%, Soil 40%, Sediment 2.9%, with half life (hr) of air 0.5, water 360, soil 720 and sediment 3240.

The prediction is considered to fall within the model domain