Substance Identity
CAS Number 127-43-5
Chemical Name 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
Type of substance Organic
SMILES O=C(C=CC(=C(CCC1)C)C1(C)C)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)? Yes
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-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.284
EPI Predicted Ozone reaction half-life (days) 0.03349
EPI Predicted Atmospheric Oxidation half-life (days) 0.04463

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.91
Log BAF T2MTL predicted by Gobas 4.09017623807512
Log BCF 5% T2LTL predicted by Gobas 3.59366454253994
Log BCF Max predicted by OASIS 4.16286318567448
Log BCF predicted by BCFWIN 3.084

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 5.5
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 5.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 1.842
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 0.2876
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2.360136
Toxicity to fish (LC50 in mg/l) as predicted by PNN 4.63449
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.809
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.81E-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