Registration Dossier
Registration Dossier
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EC number: 247-557-8 | CAS number: 26264-06-2
Bioaccumulation: terrestrial
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: terrestrial
- Data waiving:
- other justification
- Justification for data waiving:
- other:
Reference
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)
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