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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Bioaccumulation: terrestrial

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Administrative data

Link to relevant study record(s)

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 = 0.84   (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 : S=C(S)OCC(C)C
CHEM   : Carbonodithioic acid, o-(2-methylpropyl) ester, potassium 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) :  0.0884  (normalized to 10 g fish)
  Log BAF (Arnot-Gobas upper trophic):  0.72  (BAF = 5.29 L/kg wet-wt)
 
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 (terrestrial species):
6.899 L/kg ww

Additional information

  

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 Potassium isobutyl xanthate   is 0.84 (BCF = 6.899L/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 : S=C(S)OCC(C)C

CHEM  : Carbonodithioic acid, o-(2-methylpropyl) ester, potassium 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) : 0.0884 (normalized to 10 g fish)

 Log BAF (Arnot-Gobas upper trophic): 0.72 (BAF = 5.29 L/kg wet-wt)

 

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)

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

Whole Body Primary Biotransformation Rate Estimate for Fish:

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

------+-----+--------------------------------------------+---------+---------

 TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE 

------+-----+--------------------------------------------+---------+---------

 Frag | 2 | Methyl [-CH3]                            | 0.2451 | 0.4902

 Frag | 1 | -CH2- [linear]                           | 0.0242 | 0.0242

 Frag | 1 | -CH-  [linear]                           | -0.1912 | -0.1912

 L Kow| * | Log Kow =  1.78 (KowWin estimate)        | 0.3073 | 0.5458

 MolWt| * | Molecular Weight Parameter                |        | -0.3853

 Const| * | Equation Constant                        |        | -1.5058

============+============================================+=========+=========

  RESULT  |       LOG Bio Half-Life (days)            |        | -1.0534

  RESULT  |           Bio Half-Life (days)            |        | 0.08844

  NOTE    | Bio Half-Life Normalized to 10 g fish at 15 deg C  |

============+============================================+=========+=========

 

Biotransformation Rate Constant:

 kM (Rate Constant): 7.838 /day (10 gram fish)

 kM (Rate Constant): 4.407 /day (100 gram fish)

 kM (Rate Constant): 2.479 /day (1 kg fish)

 kM (Rate Constant): 1.394 /day (10 kg fish)

 

Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):

  Estimated Log BCF (upper trophic) = 0.724 (BCF = 5.293 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 0.724 (BAF = 5.293 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 0.634 (BCF = 4.31 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 0.634 (BAF = 4.31 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 0.602 (BCF = 4 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 0.602 (BAF = 4.001 L/kg wet-wt)

 

Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):

  Estimated Log BCF (upper trophic) = 0.862 (BCF = 7.278 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 0.870 (BAF = 7.407 L/kg wet-wt)