Substance Identity
CAS Number 4695-62-9
Chemical Name Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S)-
Type of substance Organic
SMILES O=C(C(CC1C2)(C2)C)C1(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)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.5988
TOPKAT probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.8998

Underlying data regarding Bioaccumulation

Empirical Log Kow 3.52
Log Kow predicted by KowWin 3.04
Log BAF T2MTL predicted by Gobas 2.34883179527786
Log BCF 5% T2LTL predicted by Gobas 2.2289938717827
Log BCF Max predicted by OASIS 2.43655597172643
Log BCF predicted by BCFWIN 2.01

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 9.5
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 9.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 11.883
Toxicity to fish (LC50 in mg/l) as predicted by Aster 77.676625
Toxicity to fish (LC50 in mg/l) as predicted by PNN 55.15299
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 2,000
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1.631
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 1.106
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.19E+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