Substance Identity
CAS Number 110-93-0
Chemical Name 5-Hepten-2-one, 6-methyl-
Type of substance Organic
SMILES O=C(CCC=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 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-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.6596
TOPKAT probability of biodegradation 1
Experimental Ozone Reaction half-life (days) 0.0293803418803419
Reference (ozone reaction) 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
EPI Predicted Ozone reaction half-life (days) 0.02665
Experimental Atmospheric Oxidation half-life (days) 0.0681174805378627
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
EPI Predicted Atmospheric Oxidation half-life (days) 0.1165

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.06
Log BAF T2MTL predicted by Gobas 0.913845684108727
Log BCF 5% T2LTL predicted by Gobas 0.832753210251305
Log BCF Max predicted by OASIS 1.72719839599069
Log BCF predicted by BCFWIN 0.888

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 85.7
Experimental result iT (mg/l) 85.7
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 v6.1 121.8
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 82.16
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 220.5343
Toxicity to fish (LC50 in mg/l) as predicted by Aster 137.808875
Toxicity to fish (LC50 in mg/l) as predicted by PNN 88.3941
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 22.702
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 4.654
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.22E+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