Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 203-872-2 | CAS number: 111-46-6
Distribution modelling
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
Referenceopen allclose all
- Reference Type:
- other: Mackay calculation
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
- Reference Type:
- other: Estimation software
- Title:
- Level I Model, v3.0
- Author:
- CEMC
- Year:
- 2 004
- Bibliographic source:
- Canadian Centre for Environmental Modelling and Chemistry (CEMC), Trent University, 1600 West Bank Drive, Peterborough, Ontario, CANADA
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:
- 2,2'-oxydiethanol
- EC Number:
- 203-872-2
- EC Name:
- 2,2'-oxydiethanol
- Cas Number:
- 111-46-6
- Molecular formula:
- C4H10O3
- IUPAC Name:
- 2-(2-hydroxyethoxy)ethan-1-ol
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 106.12 g/mol
- Data temperature: 20 °C (based on vapour pressure)
- Water solubility: 1.0E+06 mg/L (experimental; Budavari, 1989; Merck Index)
- Vapour pressure: 0.8 Pa (at 20 °C; Daubert & Danner, 2006)
- log Pow: -1.98 (experimental; Verschueren, 1993)
- Melting point: -6.5 °C (experimental; Budavari, 1989; Merck Index) - Environmental properties:
- See "Any other information on materials and methods".
Results and discussion
Percent distribution in media
- Air (%):
- 0
- Water (%):
- 100
- Soil (%):
- 0
- Sediment (%):
- 0
Any other information on results incl. tables
Over time, the substance will preferentially distribute into the compartment water (100%).
This estimate refers to the uncharged molecule.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
