Substance Identity
CAS Number 3965-55-7
Chemical Name 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester,sodium salt
Type of substance Organic
SMILES S(=O)(=O)(O)c1cc(C(=O)OC)cc(C(=O)OC)c1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? No
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1T to 1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.6406
TOPKAT probability of biodegradation 0.979
EPI Predicted hydrolysis half-life (days) 9.37E+000
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 23.48

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin -3.28
Log BAF T2MTL predicted by Gobas 0.0000540371955876
Log BCF 5% T2LTL predicted by Gobas 0.0005144646215092
Log BCF Max predicted by OASIS 0.932456006379482
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 113.90779
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 30,569.729
Toxicity to fish (LC50 in mg/l) as predicted by Aster 117.089836
Toxicity to fish (LC50 in mg/l) as predicted by PNN 113.90779
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 404,000
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.88E+003

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment