Substance Identity
CAS Number 106-65-0
Chemical Name Butanedioic acid, dimethyl ester
Type of substance Organic
SMILES O=C(OC)CCC(=O)OC
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 0.9836
EPI Predicted hydrolysis half-life (days) 8.49E+002
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 7.63888888888889
Reference (oxidation) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
EPI Predicted Atmospheric Oxidation half-life (days) 9.321

Underlying data regarding Bioaccumulation

Empirical Log Kow 0.35
Log Kow predicted by KowWin 0.4
Log BAF T2MTL predicted by Gobas 0.0327482512769241
Log BCF 5% T2LTL predicted by Gobas 0.0266022647772847
Log BCF Max predicted by OASIS 1.11934507361915
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 148.6
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 148.6
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 158.775
Toxicity to fish (LC50 in mg/l) as predicted by Aster 25.740564
Toxicity to fish (LC50 in mg/l) as predicted by PNN 32.82042
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 3,317.276
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.15E+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