Substance Identity
CAS Number 10482-55-0
Chemical Name 2-Butenoic acid, 2-methyl-, 3-methylbutyl ester, (Z)-
Type of substance Organic
SMILES O=C(OCCC(C)C)C(=CC)C
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 Air-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.7155
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 4.84E+004
EPI Predicted Ozone reaction half-life (days) 0.155
EPI Predicted Atmospheric Oxidation half-life (days) 0.2918

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.58
Log BAF T2MTL predicted by Gobas 2.41239676324318
Log BCF 5% T2LTL predicted by Gobas 2.28853345444076
Log BCF Max predicted by OASIS 2.91923261701306
Log BCF predicted by BCFWIN 2.055

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 2.9
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 2.9
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 1.673
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 3.6824
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.670858
Toxicity to fish (LC50 in mg/l) as predicted by PNN 9.69448
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 9.614
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.38E+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