Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 915-277-1 | CAS number: 32052-51-0
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:
- calculated 2013-01-08
- 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:
- 2 013
- Report date:
- 2013
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Self-made, equivalent to Level I V. 2.11 with standard settings
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 2,2,4(or 2,4,4)-Trimethylhexane-1,6-diisocyanate
- EC Number:
- 915-277-1
- Cas Number:
- 32052-51-0
- Molecular formula:
- C11H18N2O2
- IUPAC Name:
- 2,2,4(or 2,4,4)-Trimethylhexane-1,6-diisocyanate
- Test material form:
- other: as used in studies and calculations for input data
- Details on test material:
- 2,2,4(or 2,4,4)-Trimethylhexane-1,6-diisocyanate as used in studies on input data
Constituent 1
Study design
- Test substance input data:
- Molecular weight: 210.28 g/mol
log Kow: 4.48
Vapour pressure: 0.31 Pa
Water solubility: 0.01 g/l
Melting point: -80.0 °C
The value of 10 mg/l for the water solubility is a crude geometric mean of the two EpiWin results for water solubility plus the HenryWin result combined with the vapour pressure key study of 0.31 Pa (20 °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 (%):
- 27.719
- Water (%):
- 12.092
- Soil (%):
- 29.817
- Sediment (%):
- 30.149
- Susp. sediment (%):
- 0.194
- Biota (%):
- 0.019
- Aerosol (%):
- 0.011
Applicant's summary and conclusion
- Conclusions:
- According to a Mackay Level I model calculation the main target compartments for 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate will be sediment (30 %) and soil (30 %) followed by the atmosphere (28 %) and the hydrosphere (12 %). Environmental distribution considerations for 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate are of little relevance because the reaction with water is expected to eliminate the substance from the environment rapidly.
- Executive summary:
According to a Mackay Level I model calculation the main target compartments for 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate will be sediment (30 %) and soil (30 %) followed by the atmosphere (28 %) and the hydrosphere (12 %). Environmental distribution considerations for 2,2,4(or 2,4,4)-trimethylhexane-1,6-diisocyanate are of little relevance because the reaction with water is expected to eliminate the substance from the environment rapidly.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
