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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

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
Justification for type of information:
1. SOFTWARE
see Mackay, D. 2001. "Multimedia Environmental Models: The Fugacity Approach - Second Edition", Lewis Publishers, Boca Raton, pp. 1-261.

2. MODEL (incl. version number)
Mackay Level I v3.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
- molar mass
- temperature
- water solubility
- vapor pressure
- melting point
- log kow

4. SCIENTIFIC VALIDITY OF THE MODEL
For details see Mackay, D. (2001); Mackay et al. (1996)

5. APPLICABILITY DOMAIN
For details see Mackay, D. (2001); Mackay et al. (1996)

6. ADEQUACY OF THE RESULT
A Level I calculation is not required under REACh but gives a general impression of the likely media into which a chemical will tend to partition and an indication of relative concentrations in each medium.

Data source

Reference
Reference Type:
other: Mackay Level I calculation
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Level I Version 3.00
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
1-(dimethylamino)propan-2-ol
EC Number:
203-556-4
EC Name:
1-(dimethylamino)propan-2-ol
Cas Number:
108-16-7
Molecular formula:
C5H13NO
IUPAC Name:
1-(dimethylamino)propan-2-ol
Test material form:
not specified
Details on test material:
- Name of test material (as cited in study report): 1-(Dimethylamino)-2-propanol
- Analytical purity: pure (not indicated)

Study design

Test substance input data:
- Molar mass: 103.17 g/mol (EPISuite v4.11, 18. Nov. 2016)
- Data temperature: 25 °C
- Water solubility: 1E+06 mg/L (@20°C, GESTIS database 2016, online query 2016-08-09)
- Vapour pressure: 2580 Pa (@25°C, BASF SE 2013, report no. 11L00464)
- log Pow: -0.12 (@23°C, pH 10.9, BASF SE 2013, report no. 11L00464)
- Melting point: -85.0 °C (@1013 hPa, Ullmann's Encyclopedia 2001, online query 2016-08-10)
Environmental properties:
see "Any other information on materials and methods incl. tables"

Results and discussion

Percent distribution in media

Air (%):
8.4
Water (%):
91.6
Soil (%):
0
Sediment (%):
0
Susp. sediment (%):
0
Biota (%):
0
Aerosol (%):
0

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartment water (91.6%) and into the compartment air (8.4%).

The substance will be ionized at environmentally relevant pH, so the distribution into water may be underestimated (measured pKa value: 9.8, BASF SE, report no. 11L00464 , 2013).

The data refer to the uncharged molecule.

Applicant's summary and conclusion