Substance Identity
CAS Number 78-59-1
Chemical Name 2-Cyclohexen-1-one, 3,5,5-trimethyl-
Type of substance Organic
SMILES O=C(C=C(CC1(C)C)C)C1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? Yes
Meets Environmental Criteria for Categorization? No
Persistent (P)? Yes
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B Experiment
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >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
Experimental Biodegradation result (%) 1.5
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.5813
TOPKAT probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 0.155
EPI Predicted Atmospheric Oxidation half-life (days) 0.1326

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.7
Reference (Log Kow) VEITH,GD ET AL;1980
Log Kow predicted by KowWin 2.62
Log BAF T2MTL predicted by Gobas 0.311671626289131
Log BCF 5% T2LTL predicted by Gobas 0.294296737632022
Log BCF Max predicted by OASIS 2.09582552120775
Log BCF predicted by BCFWIN 0.609
Experimental BCF (log) 0.581892095342124
Reason for pivotal value Average Vertebrate BCF
Test species BCF/BAF (Latin) Cyprinus carpio
Test species BCF/BAF (Common) Common carp
Mean water concentration (ug/l) 500
Mean water concentration (comment) Below water solubility by a factor of 5
Water concentration: Measured/Nominal/Uncertain Measured
RadioLabel No
Exposure duration (days) 42
Exposure duration (comment) Sufficient exposure duration for 80% steady state; "Reported steady state"
Exposure type Flow-through
Mean temperature (deg. Celcius) 22
Exposure route Water (but fed)
Exposure media Fresh Water
Tissue analysed Whole body
Calculation method Cb/Cw
Comment (BAF/BCF) Average BCF; Apparent measured water concentrations; Reported "Steady state"
Reference (BAF/BCF) Chemicals Evaluation and Research Institute. 1992. Biodegradation and Bioconcentration of Existing Chemical Substances under the Chemical Substances Control Law. http://qsar.cerij.or.jp/cgi-bin/DEGACC/index.cgi?e

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 117
Experimental result iT (mg/l) 117
Exposure duration iT (hours) 48
Robust Study Summary iT
78591-AT-LC50-I-Dapmag-2.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 674.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 36.235
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 46.2014
Toxicity to fish (LC50 in mg/l) as predicted by Aster 85.349992
Toxicity to fish (LC50 in mg/l) as predicted by PNN 61.41014
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 798.1
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 53.521
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.68E-001

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Greatest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment

AgencyAssessment
USEPA 1986 Carcinogenicity - Group C
EC Carcinogenicity - Category 3

Underlying data regarding Complex Hazard Assessment