Substance Identity
CAS Number 5153-25-3
Chemical Name Benzoic acid, 4-hydroxy-, 2-ethylhexyl ester
Type of substance Organic
SMILES O=C(OCC(CCCC)CC)c(ccc(O)c1)c1
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 Category
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 Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.69
TOPKAT probability of biodegradation 0.193
EPI Predicted hydrolysis half-life (days) 2.45E+004
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.4902

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 5.36
Log BAF T2MTL predicted by Gobas 4.78988436643673
Log BCF 5% T2LTL predicted by Gobas 4.00202630683927
Log BCF Max predicted by OASIS 4.48647350960708
Log BCF predicted by BCFWIN 3.428

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.102687
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.313
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 0.9065
Toxicity to fish (LC50 in mg/l) as predicted by Aster 0.102687
Toxicity to fish (LC50 in mg/l) as predicted by PNN 0.74932
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.132
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.33E-001

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