Registration Dossier
Registration Dossier
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EC number: 204-465-2 | CAS number: 121-33-5
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- 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: Fugacity-Based Environmental Equilibrium Partitioning Model
- Title:
- The fugacity model level I
- Author:
- Mackay D
- Year:
- 2 001
- Bibliographic source:
- Multimedia Environmental Models: The fugacity Approach 2nd Edition, Lewis Publishers. Boca, Raton, pp: 1-261. [available on line] , URL: http://www.trentu.ca/cemc/
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- INPUT DATA USED:
Molecular weight = 152.15
Data temperature = 25° C
Log Kow = 1.17
Water solubility = 9000 mg/l
Vapour pressure = 0.3 Pa
Melting point = 81°C - Release year:
- 2 010
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Vanillin
- EC Number:
- 204-465-2
- EC Name:
- Vanillin
- Cas Number:
- 121-33-5
- Molecular formula:
- C8H8O3
- IUPAC Name:
- 1-butoxypropan-2-ol
- Details on test material:
- Not applicable, QSAR
Constituent 1
Results and discussion
Percent distribution in media
- Air (%):
- 0.1
- Water (%):
- 98.6
- Soil (%):
- 1.3
- Sediment (%):
- 0.03
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.
