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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Bioaccumulation: aquatic / sediment

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Estimated data generated using the EPI Suite model developed by the USEPA.
Qualifier:
according to guideline
Guideline:
other: Modelling database
Principles of method if other than guideline:
BCFBAF Program (v3.00)
GLP compliance:
no
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Test temperature:
25°C
Reference substance (positive control):
no
Key result
Type:
BCF
Value:
56.23 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

==============================

SMILES : Oc1c(I)cc2C(c4ccccc4C(=O)O)C3C=C(I)C(=O)C(I)=C3Oc2c1I

CHEM : Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4

',5',7'-tetraiodo-, disodium salt

MOL FOR: C20 H10 I4 O5

MOL WT : 837.92

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 1.75 (BCF = 56.2 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.145 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): 1.60 (BAF = 39.8 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 6.44

Equation Used to Make BCF estimate:

Log BCF = 1.75 (Ionic; Log Kow dependent)

Estimated Log BCF = 1.750 (BCF = 56.23 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
Using BCFBAF Program (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for test chemical was 56.23 L/kg wet-wt at 25 °C, which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is non-bioaccumulative in food chain.
Executive summary:

Using BCFBAF Program (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for test chemical was 56.23 L/kg wet-wt at 25 °C, which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is non-bioaccumulative in food chain.

Description of key information

Using BCFBAF Program (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for test chemical was 56.23 L/kg wet-wt at 25 °C, which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is non-bioaccumulative in food chain.

Key value for chemical safety assessment

BCF (aquatic species):
56.23 L/kg ww

Additional information

Using BCFBAF Program (v3.00) model of EPI suite, the estimated bio concentration factor (BCF) for test chemical was 56.23 L/kg wet-wt at 25 °C, which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is non-bioaccumulative in food chain.