Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:

Administrative data

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: 4.77, 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 Calcium dodecylbenzenesulphonate 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: 4.77, 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).

 

SMILES : CCCCCCCCCCCCc1ccc(S(=O)(=O)O[Ca]OS(=O)(=O)c2ccc(CCCCCCCCCCCC)cc2)cc1

CHEM  : Benzenesulfonic acid, dodecyl-, calcium salt

MOL FOR: C36 H58 O6 S2 Ca1

MOL WT : 691.06

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

Summary Results:

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

 Biotransformation Half-Life (days) : 1.44 (normalized to 10 g fish)

 Log BAF (Arnot-Gobas upper trophic): 2.74 (BAF = 548 L/kg wet-wt)

 

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

BCF (Bioconcentration Factor):

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

Log Kow (estimated) : 14.13

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 4.77 (user entered)

 

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 | 2 | Linear C4 terminal chain [CCC-CH3]      | 0.0341 | 0.0682

 Frag | 2 | Alkyl substituent on aromatic ring       | 0.1781 | 0.3561

 Frag | 2 | Aromatic-CH2                             | -0.3365 | -0.6730

 Frag | 8 | Aromatic-H                               | 0.2664 | 2.1310

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

 Frag | 20 | -CH2- [linear]                          | 0.0242 | 0.4837

 Frag | 2 | Benzene                                  | -0.4277 | -0.8555

 L Kow| * | Log Kow =  4.77 (user-entered  )       | 0.3073 | 1.4660

 MolWt| * | Molecular Weight Parameter               |        | -1.7721

 Const| * | Equation Constant                        |        | -1.5371

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

  RESULT  |       LOG Bio Half-Life (days)           |        | 0.1577

  RESULT  |           Bio Half-Life (days)           |        |  1.438

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

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

 

Biotransformation Rate Constant:

 kM (Rate Constant): 0.4821 /day (10 gram fish)

 kM (Rate Constant): 0.2711 /day (100 gram fish)

 kM (Rate Constant): 0.1524 /day (1 kg fish)

 kM (Rate Constant): 0.08572 /day (10 kg fish)

 

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

  Estimated Log BCF (upper trophic) = 2.736 (BCF = 544.3 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 2.739 (BAF = 547.8 L/kg wet-wt)

  Estimated Log BCF (mid trophic)  = 2.833 (BCF = 681.5 L/kg wet-wt)

  Estimated Log BAF (mid trophic)  = 2.857 (BAF = 719.8 L/kg wet-wt)

  Estimated Log BCF (lower trophic) = 2.857 (BCF = 719.5 L/kg wet-wt)

  Estimated Log BAF (lower trophic) = 2.937 (BAF = 865.4 L/kg wet-wt)

 

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

  Estimated Log BCF (upper trophic) = 3.717 (BCF = 5211 L/kg wet-wt)

  Estimated Log BAF (upper trophic) = 4.645 (BAF = 4.42e+004 L/kg wet-wt)