Registration Dossier
Registration Dossier
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EC number: 246-805-2 | CAS number: 25306-75-6
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:
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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)
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