Substance Identity
CAS Number 105-76-0
Chemical Name 2-Butenedioic acid (Z)-, dibutyl ester
Type of substance Organic
SMILES O=C(OCCCC)C=CC(=O)OCCCC
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) >1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.9707
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 1.22E+002
EPI Predicted Ozone reaction half-life (days) 13.1
EPI Predicted Atmospheric Oxidation half-life (days) 0.6667

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.16
Log BAF T2MTL predicted by Gobas 3.06552986427857
Log BCF 5% T2LTL predicted by Gobas 2.86378460128505
Log BCF Max predicted by OASIS 3.47953470648414
Log BCF predicted by BCFWIN 2.503

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1.7
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 1.7
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.382641
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.85247
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 4.028
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.58E-002

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