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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

This substance has a limited potential to bioaccumulate(based on log Kow used :, Log Kow estimated : 1.78, and predicted bioconcentration factors, log BCF =0.839  (EPIWIN/BCF Program). 
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , a bioaccumulation study need not be conducted if:
— the substance has a low potential for bioaccumulation (for instance a log Kow ≤ 3) and/or a low potential to cross biological membranes, or
— direct and indirect exposure of the aquatic compartment is unlikely.
The estimated Log BCF of Sodium isobutyl xanthate is 0.84 (BCF = 6.899 L/kg wet-wt)
This substance has a limited potential to bioaccumulate (based on log Kow used :, Log Kow estimated : 1.78 , and predicted bioconcentration factors, log BCF = 0.84 (EPIWIN/BCF Program).
The estimated BCF of 6.899 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BCFBAF Program (v3.01) Results:
==============================
SMILES : O(C(CC)C)C(S)=S
CHEM : Carbonodithioic acid, o-(2-methylpropyl) ester, sodium salt
MOL FOR: C5 H10 O1 S2
MOL WT : 150.25
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.84 (BCF = 6.9 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0777 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.71 (BAF = 5.11 L/kg wet-wt)

Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 1.78

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 = 0.839 (BCF = 6.899 L/kg wet-wt)

Key value for chemical safety assessment

BCF (aquatic species):
6.899 L/kg ww

Additional information

This substance has a limited potential to bioaccumulate(based on log Kow used :, Log Kow estimated : 1.78, and predicted bioconcentration factors, log BCF =0.839  (EPIWIN/BCF Program).

Bioconcentration/bioaccumulation was estimated using QSAR estimation software (EPISUITE v4.1 BCFBAF v3.00), in accordance with REACH Annex XI. The estimated log BCF is 0.84 (BCF = 6.9 L/kg wet-wt) using the regression-based method. The estimated log BAF is 0.71 (BAF = 5 SMILES : O(C(CC)C)C(S)=S

CHEM  : Carbonodithioic acid, o-(2-methylpropyl) ester, sodium salt

MOL FOR: C5 H10 O1 S2

MOL WT : 150.25

 

BCFBAF Program (v3.01) Results:

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

SMILES : O(C(CC)C)C(S)=S

CHEM  : Carbonodithioic acid, o-(2-methylpropyl) ester, sodium salt

MOL FOR: C5 H10 O1 S2

MOL WT : 150.25

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

Summary Results:

 Log BCF (regression-based estimate): 0.84 (BCF = 6.9 L/kg wet-wt)

 Biotransformation Half-Life (days) : 0.0777 (normalized to 10 g fish)

 Log BAF (Arnot-Gobas upper trophic): 0.71 (BAF = 5.11 L/kg wet-wt)

 

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 1.78

 

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 = 0.839 (BCF = 6.899 L/kg wet-wt)