Substance Identity
CAS Number 120-51-4
Chemical Name Benzoic acid, phenylmethyl ester
Type of substance Organic
SMILES O=C(OCc(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)? 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-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.4803
TOPKAT probability of biodegradation 0.027
EPI Predicted hydrolysis half-life (days) 6.35E+002
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.535

Underlying data regarding Bioaccumulation

Empirical Log Kow 3.97
Log Kow predicted by KowWin 3.54
Log BAF T2MTL predicted by Gobas 2.8418877296962
Log BCF 5% T2LTL predicted by Gobas 2.67562148365037
Log BCF Max predicted by OASIS 2.87912880801414
Log BCF predicted by BCFWIN 2.357

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1.2
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 1.2
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 4.819
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 4.5812
Toxicity to fish (LC50 in mg/l) as predicted by Aster 8.844551
Toxicity to fish (LC50 in mg/l) as predicted by PNN 3.72929
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.6888
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 6.69
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.87E+000

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

Carcinogencity

Screening Outcome Negative
Screening Method
Data Results
Reference TOPKAT v6.0 CASETOX v1.52 DEREK v7.0

Genotoxicity

Screening Outcome Negative
Screening Method
Data Results in vitro Mutagenicity
Reference MHW, Japan, 1996, unpublished data, (as cited in OECD SIDS 1998

Reference/Regulatory Values

Screening Outcome Negative
Screening Method
Data Results ADI 5 mg/kg/day
Reference MHW, Japan, 1996, unpublished data (as cited in OECD/SIDS, 1998) JECFA, 1980, No. 23 (as cited in BIBRA, 1989)