Sodium dodecylbenzenesulfonate

Bioaccumulation: terrestrial

Link to relevant study record(s)

Reference

Endpoint:

bioaccumulation: terrestrial

Data waiving:

other justification

Justification for data waiving:

other:

Description of key information

This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 4.78, and predicted bioconcentration factors, log BCF = 1.850 (EPIWIN/BCF Program). 
The estimated BCF of 70.79 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). 

Key value for chemical safety assessment

BCF (terrestrial species):

70.79 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 Sodium dodecylbenzenesulfonate is  1.850  (BCF = 70.79 L/kg wet-wt)

This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 4.78, and predicted bioconcentration factors, log BCF = 1.850 (EPIWIN/BCF Program).

The estimated BCF of 70.79 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([Na])S(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC

CHEM  : Benzenesulfonic acid, dodecyl-, sodium salt

MOL FOR: C18 H29 O3 S1 Na1

MOL WT : 348.48

 

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

Summary Results:

 Log BCF (regression-based estimate): 1.85 (BCF = 70.8 L/kg wet-wt)

 Biotransformation Half-Life (days) : 1.32 (normalized to 10 g fish)

 Log BAF (Arnot-Gobas upper trophic): 2.71 (BAF = 509 L/kg wet-wt)

 

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 4.78

 

Equation Used to Make BCF estimate:

Log BCF = 1.85 (Ionic; 11 or more -CH2- groups)

   Estimated Log BCF = 1.850 (BCF = 70.79 L/kg wet-wt)

 

   

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

Whole Body Primary Biotransformation Rate Estimate for Fish:

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

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

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

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

 Frag | 1 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0341

 Frag | 1 | Sulfonic acid / salt -> aromatic attach  | 0.0248 | 0.0248

 Frag | 1 | Alkyl substituent on aromatic ring       | 0.1781 | 0.1781

 Frag | 1 | Aromatic-CH2                             | -0.3365 | -0.3365

 Frag | 4 | Aromatic-H                               | 0.2664 | 1.0655

 Frag | 1 | Methyl [-CH3]                           | 0.2451 | 0.2451

 Frag | 10 | -CH2- [linear]                          | 0.0242 | 0.2419

 Frag | 1 | Benzene                                  | -0.4277 | -0.4277

 L Kow| * | Log Kow =  4.78 (KowWin estimate)       | 0.3073 | 1.4704

 MolWt| * | Molecular Weight Parameter               |        | -0.8372

 Const| * | Equation Constant                        |        | -1.5058

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

  RESULT  |       LOG Bio Half-Life (days)           |        | 0.1213

  RESULT  |           Bio Half-Life (days)           |        |  1.322

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

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

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.5242 /day (10 gram fish)

 kM (Rate Constant): 0.2948 /day (100 gram fish)

 kM (Rate Constant): 0.1658 /day (1 kg fish)

 kM (Rate Constant): 0.09322 /day (10 kg fish)

 

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

  Estimated Log BCF (upper trophic) = 2.704 (BCF = 506 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 2.707 (BAF = 508.9 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 2.806 (BCF = 639.2 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 2.828 (BAF = 673.4 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 2.831 (BCF = 677.5 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 2.911 (BAF = 814 L/kg wet-wt)

 

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

  Estimated Log BCF (upper trophic) = 3.729 (BCF = 5355 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 4.670 (BAF = 4.677e+004 L/kg wet-wt)