Registration Dossier
Registration Dossier
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EC number: 220-666-8 | CAS number: 2855-13-2
Distribution modelling
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:
- 2002
- 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:
- 2 018
- Report date:
- 2018
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level I V 2.11 Model
- Release year:
- 2 002
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 3-aminomethyl-3,5,5-trimethylcyclohexylamine
- EC Number:
- 220-666-8
- EC Name:
- 3-aminomethyl-3,5,5-trimethylcyclohexylamine
- Cas Number:
- 2855-13-2
- Molecular formula:
- C10H22N2
- IUPAC Name:
- 3-aminomethyl-3,5,5-trimethylcyclohexylamine
- Reference substance name:
- Isophorone diamine
- IUPAC Name:
- Isophorone diamine
- Details on test material:
- Isophorone diamine as used in studies on input data
Constituent 1
Constituent 2
Study design
- Test substance input data:
- Molecular weight: 170.30 g/mol
log Kow: 0.99
Vapour pressure: 2 Pa
Water solubility: 764 g/l
Melting point: 10 °C
- The value for the water solubility is based on a QSAR Henry's Law constant of 0.000446 Pa m3/mol and a vapour pressure of 2 Pa:
Water Solubility = 2 Pa x 170.30 g/mol / (0.000446 Pa m3/mol x 1000 l / m3) - Environmental properties:
- Temperature: 20 °C
------------------------------------------------------------
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
Results and discussion
Percent distribution in media
- Air (%):
- 0.016
- Water (%):
- 99.829
- Soil (%):
- 0.077
- Sediment (%):
- 0.078
- Susp. sediment (%):
- 0.001
- Biota (%):
- 0
- Aerosol (%):
- 0
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation, the main target compartment for isophorone diamine will be the hydrosphere (99.8 %), followed by sediment and soil (0.08 % each).
- Executive summary:
According to a Mackay Level I model calculation, the main target compartment for isophorone diamine will be the hydrosphere (99.8 %), followed by sediment and soil (0.08 % each).
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