Substance Identity
CAS Number 106-70-7
Chemical Name Hexanoic acid, methyl ester
Type of substance Organic
SMILES O=C(OC)CCCCC
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Other Human Health Priorities? Moderate
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) >1T to 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) 8.67
MITI probability of biodegradation 0.9512
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 1.21E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 2.268

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.34
Log BAF T2MTL predicted by Gobas 1.17041558581151
Log BCF 5% T2LTL predicted by Gobas 1.0829410842277
Log BCF Max predicted by OASIS 1.89878777207279
Log BCF predicted by BCFWIN 1.1

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 65.7
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 65.7
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 12.962
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 45.7164
Toxicity to fish (LC50 in mg/l) as predicted by Aster 11.178706
Toxicity to fish (LC50 in mg/l) as predicted by PNN 11.07128
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.0193
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 50.719
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.54E+001

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment