Substance Identity
CAS Number 112576-46-2
Chemical Name Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
Type of substance Organic
SMILES CC(CCCC(CC)C)(OCC)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 Category
Inherently Toxic to Aquatic Organisms (iT)? No
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 0.3972
TOPKAT probability of biodegradation 0.193
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.5816

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 4.79
Log BAF T2MTL predicted by Gobas 3.9104210504011
Log BCF 5% T2LTL predicted by Gobas 3.47941072627401
Log BCF Max predicted by OASIS 4.06203456180447
Log BCF predicted by BCFWIN 2.991

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 3.8
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 3.8
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.329
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 1.0046
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.681592
Toxicity to fish (LC50 in mg/l) as predicted by PNN 5.54481
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.0001844
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.013
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 0.074
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.29E-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