Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
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:
QSAR prediction: (Q)SAR method with established scientific validity
Qualifier:
no guideline followed
Principles of method if other than guideline:
BCFBAF v3.01 in EPI Suite (v4.1)
GLP compliance:
no
Remarks:
not applicable
Radiolabelling:
no
Vehicle:
no
Test organisms (species):
other: QSAR model
Route of exposure:
other: QSAR model
Test type:
other: QSAR model
Water / sediment media type:
not specified
Remarks:
freshwater
Hardness:
QSAR model
Test temperature:
QSAR model
pH:
QSAR model
Dissolved oxygen:
QSAR model
TOC:
QSAR model
Salinity:
QSAR model
Nominal and measured concentrations:
QSAR model
Reference substance (positive control):
not required
Type:
BCF
Value:
73.06 L/kg
Basis:
whole body w.w.
Remarks on result:
other: regression based method
Type:
BAF
Value:
103 L/kg
Basis:
whole body w.w.
Remarks on result:
other: Arnot-Gobas (upper trophic)
Details on results:

--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.86 (BCF = 73.1 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.456 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.01 (BAF = 103 L/kg wet-wt)

Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 3.33

Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction

Correction(s): Value
No Applicable Correction Factors

Estimated Log BCF = 1.864 (BCF = 73.06 L/kg wet-wt)
Reported statistics:
Log BCF (regression-based estimate): 1.86 (BCF = 73.1 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.456 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.01 (BAF = 103 L/kg wet-wt)

Log BCF (regression-based estimate):  1.86  (BCF = 73.1 L/kg wet-wt)

 Biotransformation Half-Life (days) :  0.456  (normalized to 10 g fish)

 Log BAF (Arnot-Gobas upper trophic):  2.01  (BAF = 103 L/kg wet-wt)

Validity criteria fulfilled:
yes
Conclusions:
QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of S-allyl O-pentyl dithiocarbonate is 73.06 L/kgwwt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.
Executive summary:

Bioconcentration/bioaccumulation was estimated using QSAR estimation software (EPISUITE v4.1 BCFBAF v3.01), in accordance with REACH Annex XI. The estimated log BCF is 1.864 (BCF = 73.06 L/kg wet-wt) using the regression-based method. The estimated log BAF is  2.01 (BAF = 103 L/kg wet-wt) using the Arnot-Gobas upper trophic method.

Endpoint:
bioaccumulation in aquatic species: fish
Data waiving:
exposure considerations
Justification for data waiving:
the study does not need to be conducted because direct and indirect exposure of the aquatic compartment to the substance is unlikely
other:

Description of key information

QSAR estimation using the BCFBAF v3.01 of the EPISUITE 4.1 indicate that the BCF of S-allyl O-pentyl dithiocarbonate  is 73.06  L/kgwwt. This is well below the threshold for Bioaccumulation (B) for the PBT determination.

Key value for chemical safety assessment

BCF (aquatic species):
73.06 L/kg ww

Additional information