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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method. Original calculation report not available.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
secondary source
Title:
Diesters Category of the Aliphatic Esters Chemicals (Test Plan and Robust Summaries for Substances in the HPV Test Plan)
Author:
US-EPA (American Chemistry Council's Aliphatic Esters Panel)
Year:
2010
Bibliographic source:
High Production Volume (HPV) Chemical Challenge Program (201-16837A and 201-16837B)

Materials and methods

Model:
other: Level III Fugacity Model
Calculation programme:
Calculation based on Level III Fugacity Model contained in Estimation Program Interface Suite™, v3.10. Syracuse Research Corporation, Syracuse, NY, USA
Media:
other: air - water - soil - sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(2-ethylhexyl) sebacate
EC Number:
204-558-8
EC Name:
Bis(2-ethylhexyl) sebacate
Cas Number:
122-62-3
Molecular formula:
C26H50O4
IUPAC Name:
bis(2-ethylhexyl) sebacate
Details on test material:
- Name of test material: Sebacic acid, bis(2-ethylhexyl) ester
- Smiles notation: CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

Results and discussion

Percent distribution in media

Air (%):
0.5
Water (%):
7.12
Soil (%):
29.2
Sediment (%):
63.2

Applicant's summary and conclusion