Substance Identity
CAS Number 106-35-4
Chemical Name 3-Heptanone
Type of substance Organic
SMILES O=C(CCCC)CC
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-Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8605
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.356

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 1.73
Log BAF T2MTL predicted by Gobas 0.636531818851916
Log BCF 5% T2LTL predicted by Gobas 0.566746598604142
Log BCF Max predicted by OASIS 1.54976283305979
Log BCF predicted by BCFWIN 0.632

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 458.4
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 458.4
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 151.853
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 456.8797
Toxicity to fish (LC50 in mg/l) as predicted by Aster 103.833805
Toxicity to fish (LC50 in mg/l) as predicted by PNN 102.99461
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 53.104
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 7.278
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.52E+002

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