Substance Identity
CAS Number 80-27-3
Chemical Name 3-Cyclohexene-1-methanol, à,à,4-trimethyl-, propanoate
Type of substance Organic
SMILES O=C(OC(C(CCC(=C1)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)? 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 Air-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.6023
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 9.30E+003
EPI Predicted Ozone reaction half-life (days) 0.02665
EPI Predicted Atmospheric Oxidation half-life (days) 0.1124

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.83
Log BAF T2MTL predicted by Gobas 3.96977735810292
Log BCF 5% T2LTL predicted by Gobas 3.5176617921776
Log BCF Max predicted by OASIS 4.09154148553815
Log BCF predicted by BCFWIN 3.018

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.006
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 0.006
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.975
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 0.6525
Toxicity to fish (LC50 in mg/l) as predicted by Aster 0.93503
Toxicity to fish (LC50 in mg/l) as predicted by PNN 5.5821
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 4.9
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.444
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.14E-001

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