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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint summary

Administrative data

Description of key information

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)