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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
distribution modelling
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
EPI Suite, Version 3.11; Level III Fugacity Model

Data source

Reference
Reference Type:
other: Modeling program
Title:
(Q)SAR estimation of the distribution, using Estimation Programs Interface Suite™ for Microsoft® Windows, Version 3.11.
Author:
U.S. EPA
Year:
2000
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA.

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
EPI Suite, Version 3.11; Level III Fugacity Model
Release year:
2 003
Media:
other: air, water soil, sediment

Test material

Constituent 1
Chemical structure
Reference substance name:
4,4'-[(isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride
EC Number:
253-781-7
EC Name:
4,4'-[(isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride
Cas Number:
38103-06-9
Molecular formula:
C31H20O8
IUPAC Name:
5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-benzofuran-1,3-dione)

Study design

Environmental properties:
Default values were assumed for environmental compartment descriptions, dimensions, and properties, advective and dispersive properties. Chemical-specific input parameters were:
molecular weight = 520.50 g/mol;
melting point = 187.50 °C; and
boiling point of 314 °C.
Emissions were assumed to be equally to air, water and soil.

Results and discussion

Percent distribution in media

Air (%):
0.1
Water (%):
1.18
Soil (%):
37.2
Sediment (%):
61.6
Other distribution results:
Air: t1/2 = 16.1 hr; emissions = 1000 kg/hr
Water: t1/2 = 3600 hr; emissions = 1000 kg/hr
Soil: t1/2 = 3600 hr; emissions = 1000 kg/hr
Sediment: t1/2 = 14,400 hr; emissions = 0 kg/hr

Any other information on results incl. tables

Percent in air was actually noted as <0.1 %

Applicant's summary and conclusion

Conclusions:
Air < 0.1 %
Water = 1.18 %
Soil = 37.2 %
Sediment = 61.6 %