Substance Identity
CAS Number 142-92-7
Chemical Name Acetic acid, hexyl ester
Type of substance Organic
SMILES O=C(OCCCCCC)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 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) 8.67
MITI probability of biodegradation 0.9523
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 7.83E+002
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.438

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.83
Log BAF T2MTL predicted by Gobas 1.64513448108033
Log BCF 5% T2LTL predicted by Gobas 1.54914301265591
Log BCF Max predicted by OASIS 2.25827189933523
Log BCF predicted by BCFWIN 1.478

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 4
Experimental result iT (mg/l) 4
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Center for Lake Superior Environmental Stud., Univ.of Wisconsin-Superior, Superior, WI :414
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 6.6
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 7.852
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 19.4981
Toxicity to fish (LC50 in mg/l) as predicted by Aster 5.202146
Toxicity to fish (LC50 in mg/l) as predicted by PNN 7.9762
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 20.124
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 5.91E+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