Registration Dossier
Registration Dossier
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EC number: 225-266-7 | CAS number: 4747-21-1
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: Acceptable 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
- Calculation programme:
- Level I Version 3.0
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- N-methylisopropylamine
- EC Number:
- 225-266-7
- EC Name:
- N-methylisopropylamine
- Cas Number:
- 4747-21-1
- Molecular formula:
- C4H11N
- IUPAC Name:
- methyl(propan-2-yl)amine
- Details on test material:
- - Name of test material (as cited in study report): N-methylisopropylamine
- Analytical purity: pure substance
Constituent 1
Study design
- Test substance input data:
- The following physicochemical properties of the substance were used to calculate the distribution:
- Molar mass: 74.13
- Data temperature: 25 °C
- Water solubility: 1000000 g/m³ (1)
- Vapour pressure: 37.6 kPa (2, 3)
- log Pow: 0.52 (4)
- Melting point: -101.15 °C (5)
- Henry´s law constant: 2.75 Pa*m³/mol (6)
source:
(1) Measured data, SRICI Testing Centre (2008). Test report no. 3508080004.
(2) Measured data, SRICI Testing Centre (2008). Test report no. 3508080003.
(3) Measured data, BASF AG (2006). Report no. 2006.076.
(4) Measured data, SRICI Testing Centre (2008). Test report no. 3508080005.
(5) Estimated data, EPI Suite v4.10
(6) Calculated by Mackay Level I program - 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 (%):
- 35.6
- Water (%):
- 64.2
- Soil (%):
- 0.188
- Sediment (%):
- 0.004
Any other information on results incl. tables
Over time, the uncharged substance will preferentially distribute into the compartments water (64.2%) and air (35.6%). However, as the model does not consider the ionic character of the molecule at environmental relevant pH condition, the distribution into water may be underestimated by the model.
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.
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