Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Environmental fate & pathways

Distribution modelling

Currently viewing:

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 1 calculation
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Model:
calculation according to Mackay, Level I
Release year:
2 004
Media:
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
EC Number:
218-216-0
EC Name:
Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Cas Number:
2082-79-3
Molecular formula:
C35H62O3
IUPAC Name:
octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

Study design

Test substance input data:
- Molar mass: 530.88 g/mol [1]
- Data temperature: 25 °C
- Water solubility: 0.00285 g/m³ [2]
- Vapour pressure: 4.5E-11 Pa [1]
- log Pow: 13.4 [1]*
- Melting point: 53 °C [3]

Sources:
[1]: BASF SE (2010). Department of Product Safety, data assessment, unpublished calculation, SRC EPIWIN v4.00, 05 Jan 2010
[2]: RCC (2006). Study No. A04803
[3]: Patent: Ciba-Geigy, FR 2212323, 1974; DE 2364126; Chem.Abstr., English, 81, 120260. Cited in Beilstein at 09 February 2007

* log Pow limit for Mackay Level 1 = 12, therefore calculation was performed using a log Pow of 12

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
0
Soil (%):
49.5
Sediment (%):
50.1
Susp. sediment (%):
0.32
Biota (%):
0.03
Aerosol (%):
0

Applicant's summary and conclusion