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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Study period:
2010-04-13
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Self-made, equivalent to Level I V. 2.11 with standard settings
Release year:
2 010
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyclododeca-1,5,9-triene
EC Number:
225-533-8
EC Name:
Cyclododeca-1,5,9-triene
Cas Number:
4904-61-4
Molecular formula:
C12H18
IUPAC Name:
cyclododeca-1,5,9-triene
Constituent 2
Reference substance name:
1,5,9-Cyclododecatriene
IUPAC Name:
1,5,9-Cyclododecatriene
Details on test material:
1,5,9-Cyclododecatriene as used in studies on input properties

Study design

Test substance input data:
Molecular weight:      162.28 g/mol
log Kow:                 4.50
Vapour pressure:        12.0 Pa
Water solubility:        0.28 mg/l
Melting point:         -17.0 °C
Environmental properties:
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 (%):
99.746
Water (%):
0.041
Soil (%):
0.105
Sediment (%):
0.106
Susp. sediment (%):
0.001
Biota (%):
0
Aerosol (%):
0.001

Applicant's summary and conclusion

Conclusions:
According to a Mackay Level I model calculation the main target compartment for 1,5,9-cyclododecatriene will be the atmosphere (99.7 %), followed by sediment (0.1 %) and soil (0.1 %).
Executive summary:

According to a Mackay Level I model calculation the main target compartment for 1,5,9-cyclododecatriene will be the atmosphere (99.7 %), followed by sediment (0.1 %) and soil (0.1 %).