Substance Identity
CAS Number 2050-08-0
Chemical Name Benzoic acid, 2-hydroxy-, pentyl ester
Type of substance Organic
SMILES O=C(OCCCCC)c(c(O)ccc1)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 QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
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 0.841
TOPKAT probability of biodegradation 0.947
EPI Predicted hydrolysis half-life (days) 2.50E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.6331

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.57
Log BAF T2MTL predicted by Gobas 3.59563190035067
Log BCF 5% T2LTL predicted by Gobas 3.26670144650918
Log BCF Max predicted by OASIS 3.86349479886403
Log BCF predicted by BCFWIN 2.817

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 0.799
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 342.0582
Toxicity to fish (LC50 in mg/l) as predicted by Aster 0.437979
Toxicity to fish (LC50 in mg/l) as predicted by PNN 4.47681
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 4.1
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.55
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.98E-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