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: Accepted calculation method

Data source

Reference
Reference Type:
publication
Title:
EPI Suite 4.00
Author:
EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC)
Year:
2008
Bibliographic source:
U.S. Environmental Protection Agency 2000-2008 (http://www.epa.gov/oppt/exposure/pubs/episuite.htm)

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Fugacity Level III according to Mackay et al., included in EPI Suite v4.00
Release year:
2 008
Media:
other: air - water - soil - sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(2-ethylhexyl) maleate
EC Number:
205-524-5
EC Name:
Bis(2-ethylhexyl) maleate
Cas Number:
142-16-5
Molecular formula:
C20H36O4
IUPAC Name:
1,4-bis(2-ethylhexyl) (2Z)-but-2-enedioate
Constituent 2
Reference substance name:
dioctyl maleinate
IUPAC Name:
dioctyl maleinate
Details on test material:
SMILES: O=C(OCC(CCCC)CC)C=CC(=O)OCC(CCCC)CC

Study design

Test substance input data:
- Molar mass: 340.51
- Data temperature: 25°C
- Water solubility: 36 µg/l
- Vapour pressure: 2.2e-04 Pa
- log Pow: 7.24
- Melting point: -60°C
- Reaction half-life estimates for
- Air: 24.7 hr
- Water: 8.6 d
- Soil: 17.3 d
- Sediment: 78 d
Environmental properties:
A fixed environmental temperature of 25 ºC is assumed.  Mass transport between the compartments via volatilization, diffusion, deposition and runoff are modelled.  

Results and discussion

Percent distribution in media

Air (%):
2.1
Water (%):
23.1
Soil (%):
72.3
Sediment (%):
2.52

Applicant's summary and conclusion

Conclusions:
Based on the modelled data it can be shown that the main part of bis(2-ethylhexyl) maleinate is distributed in the soil where about 72% of the substance can be found. About 23% reached the water body and small parts are distributed in air and sediment.