Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Title:
Unnamed
Year:
2019
Report date:
2019

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

Constituent 1
Chemical structure
Reference substance name:
Ethylamine
EC Number:
200-834-7
EC Name:
Ethylamine
Cas Number:
75-04-7
Molecular formula:
C2H5NH2
IUPAC Name:
ethanamine

Study design

Test substance input data:
- Molar mass: 45.08 g/mol
- Data temperature: 25 °C (Daubert T.E et.al.,HSDB databank, 1989)
- Water solubility: 1E+06 mg/L (Gestis databank, 2009)
- Vapour pressure: 1.4E+05 Pa (Daubert T.E et.al.,HSDB databank, 1989)
- log Pow: -0.13 (Kurihara N. et. al., Pest. Biochem. And Physiol. 2, 1973)
- Melting point: -81.2 °C (Beilstein databank, reg. no.: 505933, 2007)
Environmental properties:
see "Any other information on materials and methods incl. tables"

Results and discussion

Percent distribution in media

Air (%):
68.5
Water (%):
31.5

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartment air (68.5%) and slightly into the compartment water (31.5%).

The substance will be ionized at lower environmentally pH, so the distribution into water may be appropriate.

The data refer to the uncharged molecule (calculated pKa value: 10.41, SPARC On-Line Calculator, 2019)

Applicant's summary and conclusion