Substance Identity
CAS Number 105-54-4
Chemical Name Butanoic acid, ethyl ester
Type of substance Organic
SMILES O=C(OCC)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)? Yes
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
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) 15
MITI probability of biodegradation 0.9501
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 1.28E+003
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 2.16486729644624
Reference (oxidation) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
Robust Study Summary (oxidation)
105544.doc
EPI Predicted Atmospheric Oxidation half-life (days) 3.208

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 1.85
Log BAF T2MTL predicted by Gobas 0.733349646445362
Log BCF 5% T2LTL predicted by Gobas 0.65888545104743
Log BCF Max predicted by OASIS 1.6086360923561
Log BCF predicted by BCFWIN 0.722

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 750
Experimental result iT (mg/l) 750
Test species iT (Latin) Daphnia mag
Test species iT (Common) Water flea
Final EndPoint iT EC50
Exposure duration iT (hours) 24
Reference iT Z.Wasser-Abwasser-Forsch. 15(1):1-6 (GER) (ENG ABS) (OECDG Data File)
Robust Study Summary iT
105544_AT_EC50_dapmag-2.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 101.4
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 21.15
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 117.8795
Toxicity to fish (LC50 in mg/l) as predicted by Aster 23.742635
Toxicity to fish (LC50 in mg/l) as predicted by PNN 21.42801
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 126.346
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.97E+001

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