Substance Identity
CAS Number 577-11-7
Chemical Name Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt
Type of substance Organic
SMILES CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? Yes
Meets Environmental Criteria for Categorization? No
Persistent (P)? No
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B Experiment
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 95
Reference (biodegradation result) JENKINS,S.H.; HARKNESS,N.; LENNON,A.; JAMES,K.; THE BIOLOGICAL OXIDATION OF SYNTHETIC DETERGENTS IN RECIRCULATING FILTERS.; WATER RES.; 1:31-53.; 1967
Robust Study Summary (biodegradation result)
577117.doc
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.4308
TOPKAT probability of biodegradation 0
EPI Predicted hydrolysis half-life (days) 2.43E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.4669

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.95
Log BAF T2MTL predicted by Gobas 0.134070035237436
Log BCF 5% T2LTL predicted by Gobas 0.138169804361338
Log BCF Max predicted by OASIS 3.2749050913736
Log BCF predicted by BCFWIN 1.75
Experimental BCF (log) 0.46
Reason for pivotal value Average Vertebrate BCF
Test species BCF/BAF (Latin) Cyprinus carpio
Test species BCF/BAF (Common) Common carp
Mean water concentration (ug/l) 500
Mean water concentration (comment) Below water solubility by a factor of 5
Water concentration: Measured/Nominal/Uncertain Measured
RadioLabel No
Exposure duration (days) 42
Exposure duration (comment) Sufficient exposure duration for 80% steady state; "Reported steady state"
Exposure type Flow-through
Mean temperature (deg. Celcius) 22
Exposure route Water (but fed)
Exposure media Fresh Water
Mean measured lipid content (%) 4.1
Tissue analysed Whole body
Calculation method Cb/Cw
Comment (BAF/BCF) Average BCF; Apparent measured water concentrations; Reported "Steady state"
Reference (BAF/BCF) Chemicals Evaluation and Research Institute. 1992. Biodegradation and Bioconcentration of Existing Chemical Substances under the Chemical Substances Control Law. http://qsar.cerij.or.jp/cgi-bin/DEGACC/index.cgi?e

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 8.1
Experimental result iT (mg/l) 8.1
Test species iT (Latin) Patella vulgata
Test species iT (Common) Common limpet, flither
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Rev.Trav.Inst.Peches Marit.37(3):411-417 (FRE) (ENG ABS)
Robust Study Summary iT
577117-AT-LD50-pommin-2.doc
577117-AT-LC50-F-oncmyk.rtf
Toxicity to fish (LC50 in mg/l) as predicted by PNN 8.27059
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.152
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.52E-003

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Greatest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment