Substance Identity
CAS Number 137-05-3
Chemical Name 2-Propenoic acid, 2-cyano-, methyl ester
Type of substance Organic
SMILES O=C(OC)C(C(#N))=C
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)? Yes
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 Air-Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8884
EPI Predicted hydrolysis half-life (days) 2.36E+004
EPI Predicted Ozone reaction half-life (days) 131
EPI Predicted Atmospheric Oxidation half-life (days) 3.455

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 0.93
Log BAF T2MTL predicted by Gobas 0.168601883347948
Log BCF 5% T2LTL predicted by Gobas 0.140839820045295
Log BCF Max predicted by OASIS 1.24261234315622
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 49.28492
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 1,562.4622
Toxicity to fish (LC50 in mg/l) as predicted by Aster 360.144156
Toxicity to fish (LC50 in mg/l) as predicted by PNN 49.28492
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 893.8
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1,275.522
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.35E+000

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