Substance Identity
CAS Number 502-44-3
Chemical Name 2-Oxepanone
Type of substance Organic
SMILES O=C(OCCCC1)C1
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 Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.9458
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.663

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 0.68
Log BAF T2MTL predicted by Gobas 0.0931255697098401
Log BCF 5% T2LTL predicted by Gobas 0.076672606342757
Log BCF Max predicted by OASIS 1.17718917920103
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1900
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 1,900
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 87.833
Toxicity to fish (LC50 in mg/l) as predicted by Aster 253.031094
Toxicity to fish (LC50 in mg/l) as predicted by PNN 1,163.04811
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 145
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1,440.982
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 4.91E+002

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