Registration Dossier
Registration Dossier
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EC number: 401-280-0 | CAS number: 91273-04-0 CM 23-376; REOMET 30
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- other: Mackay calculation
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Bis(2-ethylhexyl)amine
- EC Number:
- 203-372-4
- EC Name:
- Bis(2-ethylhexyl)amine
- Cas Number:
- 106-20-7
- Molecular formula:
- C16H35N
- IUPAC Name:
- 2-ethyl-N-(2-ethylhexyl)hexan-1-amine
- Details on test material:
- - Name of test material (as cited in study report): 1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-
- Analytical purity: pure substance
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 241.46 g/mol (EPIWin)
- Water solubility: 14 mg/L (OXEA, 2010; report no. AN-ASB 0496)
- Vapour pressure: 0.38 Pa (at 25 °C; BASF SE, 2013, study No. 11L00538)
- log Pow: 7.3 (pH 7.5, 25 °C; OXEA, 2010; report no. AN-ASB 0496)
- Melting point: -89 °C (OXEA, 2011; report no. 20091001101151)
Results and discussion
Percent distribution in media
- Air (%):
- 0.071
- Water (%):
- 0.031
- Soil (%):
- 49.5
- Sediment (%):
- 50
- Susp. sediment (%):
- 0.321
- Biota (%):
- 0.031
- Aerosol (%):
- 0
Any other information on results incl. tables
The data refer to the uncharged molecule (calculated pKa value: 10.59). Over time, the uncharged substance will preferentially distribute into the compartment sediment (50.0%) and soil (49.5%).
However, since the model does not consider the ionic form of the molecule at environmental relevant pH conditions (5 -9), the model may underestimate distribution into water.
Applicant's summary and conclusion
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.
