Substance Identity
CAS Number 131-17-9
Chemical Name 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
Type of substance Organic
SMILES O=C(OCC=C)c(c(ccc1)C(=O)OCC=C)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 Experiment
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1T to 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
Experimental Biodegradation result (%) 92
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8605
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 3.70E+002
EPI Predicted Ozone reaction half-life (days) 0.4775
EPI Predicted Atmospheric Oxidation half-life (days) 0.1919

Underlying data regarding Bioaccumulation

Empirical Log Kow 3.23
Log Kow predicted by KowWin 3.36
Log BAF T2MTL predicted by Gobas 2.04784228486047
Log BCF 5% T2LTL predicted by Gobas 1.94177703503263
Log BCF Max predicted by OASIS 2.71113417025228
Log BCF predicted by BCFWIN 1.787

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 22
Experimental result iT (mg/l) 22
Test species iT (Latin) Daphnia mag
Test species iT (Common) Water flea
Final EndPoint iT EC50
Exposure duration iT (hours) 24
Reference iT Z.Wasser-Abwasser-Forsch. 15(1):1-6 (GER) (ENG ABS) (OECDG Data File)
Robust Study Summary iT
131179_AT_EC50_dapmag-2.doc
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 6.979
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 9.9546
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.69934
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 26
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 11.319
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 9.62E-002

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment