Substance Identity
CAS Number 97-85-8
Chemical Name Propanoic acid, 2-methyl-, 2-methylpropyl ester
Type of substance Organic
SMILES O=C(OCC(C)C)C(C)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
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.7533
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 3.37E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.947

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.68
Log BAF T2MTL predicted by Gobas 1.49733075060885
Log BCF 5% T2LTL predicted by Gobas 1.40397517857216
Log BCF Max predicted by OASIS 2.14367432017893
Log BCF predicted by BCFWIN 1.365

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 13.1
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 13.1
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 9.445
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 25.058
Toxicity to fish (LC50 in mg/l) as predicted by Aster 9.233853
Toxicity to fish (LC50 in mg/l) as predicted by PNN 21.00421
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.0018
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 27.556
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.18E+000

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