Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11 (EPIWEB 4.11)
Author:
United States Environmental Protection Agency, Washington, DC, USA.
Year:
2012
Bibliographic source:
BCFBAF (v3.01) Program

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on (Q)SAR

Test material

Constituent 1
Chemical structure
Reference substance name:
Cyclohexane-1,3-dione
EC Number:
207-980-0
EC Name:
Cyclohexane-1,3-dione
Cas Number:
504-02-9
Molecular formula:
C6H8O2
IUPAC Name:
cyclohexane-1,3-dione
Test material form:
solid: crystalline

Results and discussion

Bioaccumulation factoropen allclose all
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: regression base estimation
Type:
BAF
Value:
1.02 L/kg
Basis:
whole body w.w.
Remarks:
Fish
Calculation basis:
other: Arnot-Gobas upper trophic

Any other information on results incl. tables

BCFBAF Program (v3.01) Results:

See attachment in Attached background material for more details.

Applicant's summary and conclusion

Conclusions:
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
BCF<500: No bioconcentration expected