Substance Identity
CAS Number 93-89-0
Chemical Name Benzoic acid, ethyl ester
Type of substance Organic
SMILES O=C(OCC)c(cccc1)c1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Other Human Health Priorities? Moderate
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 Experiment
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) 15
MITI probability of biodegradation 0.8437
TOPKAT probability of biodegradation 0.999
EPI Predicted hydrolysis half-life (days) 2.12E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 4.667

Underlying data regarding Bioaccumulation

Empirical Log Kow 2.64
Log Kow predicted by KowWin 2.32
Log BAF T2MTL predicted by Gobas 1.45823957104058
Log BCF 5% T2LTL predicted by Gobas 1.36555305610004
Log BCF Max predicted by OASIS 1.88678015708208
Log BCF predicted by BCFWIN 1.333

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 6.7
Experimental result iT (mg/l) 6.7
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Sci.Total Environ.(Suppl.):799-808 (Author Communication Used) (Publ in Part As 3910)
Robust Study Summary iT
93890-AT-LC50-I-pimpro.rtf
93890-AT-LC50-I-cerdub.rtf
93890-AT-LC50-I-dapmag.rtf
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 11.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 15.325
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 31.2054
Toxicity to fish (LC50 in mg/l) as predicted by Aster 7.360784
Toxicity to fish (LC50 in mg/l) as predicted by PNN 9.46708
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 5.8
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 61.011
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.86E+001

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