Registration Dossier

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:
2014
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

Constituent 1
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
Constituent 2
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

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