S-allyl O-pentyl dithiocarbonate

Bioaccumulation: aquatic / sediment

Link to relevant study record(s)

Reference

Reference 1

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.

Reference 2

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