Registration Dossier
Registration Dossier
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EC number: 223-423-4 | CAS number: 3886-69-9
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
- 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:
- 2 011
- Report date:
- 2011
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level I Version 3.0
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- D-α-methylbenzylamine
- EC Number:
- 223-423-4
- EC Name:
- D-α-methylbenzylamine
- Cas Number:
- 3886-69-9
- Molecular formula:
- C8H11N
- IUPAC Name:
- (1R)-1-phenylethan-1-amine
- Reference substance name:
- D-alpha-methylbenzylamine
- IUPAC Name:
- D-alpha-methylbenzylamine
Constituent 1
Constituent 2
Study design
- Test substance input data:
- The following physico-chemical properties of the substance were used to calculate the distribution:
- molecular mass: 121.18 g/mol
- data temperature: 25 °C
- log Kow: 1.49 (EPI Suite v4.10; estimated)
- water-solubility: 64050 g/m³ (25 °C) (EPI Suite v4.10; estimated)
- Henry´s law constant: 0.173 Pa*m³/mol (calculated by Mackay Level I program)
- vapour pressure: 91.5 Pa (EPI Suite v4.10; estimated)
- melting point: -10 °C (BASF Safety Data Sheet, 2010) - Environmental properties:
- Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.19
water 7.0E+06 1000
soil 45000 1500 0.02
sediment 21000 1300 0.05
susp. part. 35.0 1500 0.167
fish 7.0 1000 0.05
aerosole 0.120 1500
Results and discussion
Percent distribution in media
- Air (%):
- 5.62
- Water (%):
- 93.9
- Soil (%):
- 0.229
- Sediment (%):
- 0.232
Any other information on results incl. tables
Over time, the uncharged substance will
preferentially distribute into the compartment water (93.9%). However,
as the model does not consider the ionic character of the molecule at
environmental relevant pH conditions (pH 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.
