Substance Identity
CAS Number 6197-30-4
Chemical Name 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester
Type of substance Organic
SMILES O=C(OCC(CCCC)CC)C(C(#N))=C(c(cccc1)c1)c(cccc2)c2
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)? Yes
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 Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.1254
EPI Predicted hydrolysis half-life (days) 7.53E+004
EPI Predicted Ozone reaction half-life (days) 0.9095
EPI Predicted Atmospheric Oxidation half-life (days) 0.5159

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 6.88
Log BAF T2MTL predicted by Gobas 6.44328425074859
Log BCF 5% T2LTL predicted by Gobas 4.5626533512959
Log BCF Max predicted by OASIS 4.75881770680487
Log BCF predicted by BCFWIN 4.599

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 100
Experimental result iT (mg/l) 100
Test species iT (Latin) Daphnia pulex
Test species iT (Common) Water flea
Final EndPoint iT EL50>
Exposure duration iT (hours) 48
Comment iT WAF
Reference iT 64CVDS
Robust Study Summary iT
6197-30-4_64CVDS.doc
Toxicity to fish (LC50 in mg/l) as predicted by PNN 0.36266
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.027
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.73E-004

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