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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Distribution modelling

Currently viewing:

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: Mackay calculation
Title:
Unnamed
Year:
2016
Report date:
2016

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:
2-morpholinoethanol
EC Number:
210-734-5
EC Name:
2-morpholinoethanol
Cas Number:
622-40-2
Molecular formula:
C6H13NO2
IUPAC Name:
2-(morpholin-4-yl)ethan-1-ol
Constituent 2
Reference substance name:
O(CCN(C1)CCO)C1
IUPAC Name:
O(CCN(C1)CCO)C1
Details on test material:
- Name of test material: 4-Morpholineethanol

Study design

Test substance input data:
The following physicochemical properties of the substance were used to calculate the distribution:
molecular mass: 131.18 g/mol
data temperature: 20 °C
log Kow: -1.32 (1)
watersolubility: 1E+06 g/m³ (2)
vapour pressure: 0.0000282 Pa (3)
melting point: 2 °C (3)

source:
(1) @ 25°C; calculated; KOWWIN v1.68; EPISuite v4.11 (BASF SE, 2016)
(2) @ 20°C Gestis Database (2011)
(3) @ 20°C; BASF SE, 2012; 11L00466
Environmental properties:
Volume Density Org. C Fish lipid
(m³) (kg/m³) (g/g) (g/g)
air 6.0E+09 1.21
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

Water (%):
100

Any other information on results incl. tables

Over time, the substance will preferentially distribute into the compartment water (100%).

However, since the substance will be ionized under environmentally relevant conditions, the distribution into water may still be underestimated.

Applicant's summary and conclusion