Substance Identity
CAS Number 127-91-3
Chemical Name Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-
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? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? No
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1T to 1000T

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 0.3865
TOPKAT probability of biodegradation 0.001
Experimental Ozone Reaction half-life (days) 0.545634920634921
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) 0.955
Experimental Atmospheric Oxidation half-life (days) 0.135544289536685
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) 0.1892

Underlying data regarding Bioaccumulation

Empirical Log Kow 4.16
Log Kow predicted by KowWin 4.35
Log BAF T2MTL predicted by Gobas 3.06552986427857
Log BCF 5% T2LTL predicted by Gobas 2.86378460128505
Log BCF Max predicted by OASIS 3.65854364527362
Log BCF predicted by BCFWIN 2.503

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.5
Experimental result iT (mg/l) 0.5
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT USEPA HPV RSS
Robust Study Summary iT
127913_AT_LC50_F_pimpro.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 17.9
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.624
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.750088
Toxicity to fish (LC50 in mg/l) as predicted by PNN 10.47916
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 104.3
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.034
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 0.113
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 6.24E-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