Substance Identity
CAS Number 102-16-9
Chemical Name Benzeneacetic acid, phenylmethyl ester
Type of substance Organic
SMILES O=C(OCc(cccc1)c1)Cc(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)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? Yes
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 Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.3524
TOPKAT probability of biodegradation 0.223
EPI Predicted hydrolysis half-life (days) 1.18E+002
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.084

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.79
Log BAF T2MTL predicted by Gobas 2.63960322096073
Log BCF 5% T2LTL predicted by Gobas 2.49701307907444
Log BCF Max predicted by OASIS 3.12026011127009
Log BCF predicted by BCFWIN 2.217

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.6074
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 0.6074
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 3.776
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 805.9543
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2.629179
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.70875
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.7437
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 4.224
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.16E+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