Registration Dossier

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