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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 604-195-9 | CAS number: 1406-66-2
Distribution modelling
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: Scientifically acceptable method
Data source
Reference
- Reference Type:
- other: Mackay Level I calculation
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Calculation programme:
- Level I v.3.00
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
- EC Number:
- 233-466-0
- EC Name:
- 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
- Cas Number:
- 10191-41-0
- IUPAC Name:
- 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
- Reference substance name:
- O(c(c(c(c(O)c1C)C)CC2)c1C)C2(CCCC(CCCC(CCCC(C)C)C)C)C
- IUPAC Name:
- O(c(c(c(c(O)c1C)C)CC2)c1C)C2(CCCC(CCCC(CCCC(C)C)C)C)C
- Details on test material:
- - Name of test material (as cited in study report): DL-alpha-Tocopherol
- Analytical purity: pure substance
Constituent 1
Constituent 2
Study design
- Test substance input data:
- - Molar mass: 430.72 g/mol (calculated by EPISUITE v.4.11)
- Data temperature: 25 °C
- Water solubility: 1.87E-06 mg/L (BASF SE, 2012; report no. 12L00001)
- Vapour pressure: 1.8E-06 Pa (BASF SE, 2012; report no. 12L00001)
- log Kow: 12.0 (EPISUITE v.4.11 calculated a log Kow of 12.18; the max. value of the model parameters is 12.0)
- Melting point: 2.5 °C (BASF SE, 2012; report no. 12L00001)
Results and discussion
Percent distribution in media
- Air (%):
- 0.085
- Water (%):
- 0
- Soil (%):
- 46.7
- Sediment (%):
- 47.2
- Susp. sediment (%):
- 0.303
- Biota (%):
- 0.03
- Aerosol (%):
- 5.65
Any other information on results incl. tables
The data refer to the uncharged molecule (the substance does not ionize). Over time, the uncharged substance will preferentially distribute into the compartments sediment (47.2%) and soil (46.7%).
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.
