Substance Identity
CAS Number 499-44-5
Chemical Name 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
Type of substance Organic
SMILES O=C1C=CC=C(C(C)C)C=C1O
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 Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.4197
TOPKAT probability of biodegradation 0.168
EPI Predicted Ozone reaction half-life (days) 0.2107
EPI Predicted Atmospheric Oxidation half-life (days) 0.1261

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.89
Log Kow predicted by KowWin 1.83
Log BAF T2MTL predicted by Gobas 0.766730677839299
Log BCF 5% T2LTL predicted by Gobas 0.690855894983272
Log BCF Max predicted by OASIS 1.60071735425103
Log BCF predicted by BCFWIN 0.755

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 4.4
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 4.4
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 138.152
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 247.1453
Toxicity to fish (LC50 in mg/l) as predicted by Aster 151.256188
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 9.7
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 310.069
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.76E+000

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