Substance Identity
CAS Number 53053-51-3
Chemical Name Butanoic acid, 4-(methylthio)-, methyl ester
Type of substance Organic
SMILES CSCCCC(=O)OC
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) 0 to 1T

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) 15
MITI probability of biodegradation 0.8829
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) 0.7803

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 1.44
Log BAF T2MTL predicted by Gobas 0.427564685079745
Log BCF 5% T2LTL predicted by Gobas 0.371725230302881
Log BCF Max predicted by OASIS 1.42110159445055
Log BCF predicted by BCFWIN 0.41

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 204.4
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 204.4
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 44.721
Toxicity to fish (LC50 in mg/l) as predicted by Aster 134.678719
Toxicity to fish (LC50 in mg/l) as predicted by PNN 22.54289
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.0283
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 380.637
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.23E+002

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