Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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)
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:
2013
Report date:
2013

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:
3-(3-hydroxypropyl)oxazolidin-2-one
EC Number:
431-840-1
EC Name:
3-(3-hydroxypropyl)oxazolidin-2-one
Cas Number:
87010-29-5
Molecular formula:
C6 H11 N O3
IUPAC Name:
3-(3-hydroxypropyl)oxazolidin-2-one
Details on test material:
- Analytical purity: pure substance

Study design

Test substance input data:
The following physicochemical properties of the substance were used to calculate the distribution:

- Molar mass: 145.16 (EPI Suite v4.11)
- Data temperature: 20 °C (in accordance with measured vapor pressure)
- Water solubility: 1000000 g/m³ (ASTA Medica AG, 1998)
- Vapour pressure: 0.002 Pa (ASTA Medica AG, 1998)
- log Pow: -1.22 (ASTA Medica AG, 1998)
- Melting point: -80°C (ASTA Medica AG, 1998)
- Henry´s law constant: 2.90E-07 Pa*m³/mol (calculated by Mackay Level I program)
Environmental properties:
Volume [m³] Density [kg/m³] Org. C [g/g] Fish lipid [g/g]
Air 6.0 E+09 1.19
Water 7.0 E+06 1000
Soil 45000 1500 0.02
Sediment 21000 1300 0.05
Susp. particles 35.0 1500 0.167
Fish 7.0 1000 0.05
Aerosole 0.12 1500

Results and discussion

Percent distribution in media

Water (%):
100

Any other information on results incl. tables

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

Applicant's summary and conclusion