Substance Identity
CAS Number 93-58-3
Chemical Name Benzoic acid, methyl ester
Type of substance Organic
SMILES O=C(OC)c(cccc1)c1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? Yes
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) >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 0.8404
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 2.01E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 12.67

Underlying data regarding Bioaccumulation

Empirical Log Kow 2.12
Log Kow predicted by KowWin 1.83
Log BAF T2MTL predicted by Gobas 0.967522936177656
Log BCF 5% T2LTL predicted by Gobas 0.884861086248919
Log BCF Max predicted by OASIS 1.59922391840121
Log BCF predicted by BCFWIN 0.932

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 21.2
Robust Study Summary iT
93583-AT-IGC50-O-tetpyr.rtf
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 21.2
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 25.408
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 71.6941
Toxicity to fish (LC50 in mg/l) as predicted by Aster 15.884977
Toxicity to fish (LC50 in mg/l) as predicted by PNN 10.85018
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 3.9
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 154.427
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 4.86E+001

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment