Substance Identity
CAS Number 51115-64-1
Chemical Name Butanoic acid, 2-methylbutyl ester
Type of substance Organic
SMILES O=C(OCC(CC)C)CCC
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
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8889
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 2.35E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.349

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.25
Log BAF T2MTL predicted by Gobas 2.06831976605425
Log BCF 5% T2LTL predicted by Gobas 1.96154109996344
Log BCF Max predicted by OASIS 2.6127436431416
Log BCF predicted by BCFWIN 1.8

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 10.9
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 10.9
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 5.135
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2.967603
Toxicity to fish (LC50 in mg/l) as predicted by PNN 10.91967
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 9.158
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.61E+000

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