Substance Identity
CAS Number 79-78-7
Chemical Name 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Type of substance Organic
SMILES O=C(C=CC(C(=CCC1)C)C1(C)C)CCC=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 Category
Inherently Toxic to Aquatic Organisms (iT)? Yes
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 Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.1797
EPI Predicted Ozone reaction half-life (days) 0.0256
EPI Predicted Atmospheric Oxidation half-life (days) 0.06151

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 5.63
Log BAF T2MTL predicted by Gobas 5.19981402258252
Log BCF 5% T2LTL predicted by Gobas 4.22010320305448
Log BCF Max predicted by OASIS 4.63695959882271
Log BCF predicted by BCFWIN 3.636

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.0147
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 0.0147
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 0.0938
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.914161
Toxicity to fish (LC50 in mg/l) as predicted by PNN 4.32841
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.215
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.15E-003

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