Substance Identity
CAS Number 79-70-9
Chemical Name 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
Type of substance Organic
SMILES O=C(C=CC(=C(CCC1C)C)C1(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 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 0.1544
EPI Predicted Ozone reaction half-life (days) 0.0124
EPI Predicted Atmospheric Oxidation half-life (days) 0.04452

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.84
Log BAF T2MTL predicted by Gobas 3.98470798629253
Log BCF 5% T2LTL predicted by Gobas 3.52719987643091
Log BCF Max predicted by OASIS 4.10227035264961
Log BCF predicted by BCFWIN 3.028

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1.6
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 1.6
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2.042
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 0.3421
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2.382085
Toxicity to fish (LC50 in mg/l) as predicted by PNN 4.91787
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.931
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.27E-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