Substance Identity
CAS Number 80-56-8
Chemical Name Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
Type of substance Organic
SMILES C(C(CC1C2)C1(C)C)(=C2)C
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? Yes
Persistent (P)? No
Rational for P Category
Bioaccumulative (B)? Yes
Rational for B Category
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1T to 1000T
Basis for Environment Categorization (PiT, BiT, PBiT) if categorized? BiT

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 0.3302
TOPKAT probability of biodegradation 1
Experimental Ozone Reaction half-life (days) 0.13640873015873
Reference (ozone reaction) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
EPI Predicted Ozone reaction half-life (days) 0.02665
Experimental Atmospheric Oxidation half-life (days) 0.199151665632113
Reference (oxidation) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
EPI Predicted Atmospheric Oxidation half-life (days) 0.1179

Underlying data regarding Bioaccumulation

Empirical Log Kow 4.83
Log Kow predicted by KowWin 4.27
Log BAF T2MTL predicted by Gobas 3.96977735810292
Log BCF 5% T2LTL predicted by Gobas 3.5176617921776
Log BCF Max predicted by OASIS 4.09296933426095
Log BCF predicted by BCFWIN 2.719

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.28
Experimental result iT (mg/l) 0.28
Exposure duration iT (hours) 96
Robust Study Summary iT
80568_AT_LC50_F_pimpro.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 1.2
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.742
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.750088
Toxicity to fish (LC50 in mg/l) as predicted by PNN 15.13723
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 134.9
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.042
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 0.129
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 7.42E-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