Substance Identity
CAS Number 4747-07-3
Chemical Name Hexane, 1-methoxy-
Type of substance Organic
SMILES O(CCCCCC)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) 15
MITI probability of biodegradation 0.7773
TOPKAT probability of biodegradation 0.485
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.6685

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.52
Log BAF T2MTL predicted by Gobas 1.3418853252456
Log BCF 5% T2LTL predicted by Gobas 1.25119949830843
Log BCF Max predicted by OASIS 2.02627496319877
Log BCF predicted by BCFWIN 1.242

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 52.5
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 52.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 27.953
Toxicity to fish (LC50 in mg/l) as predicted by Aster 32.622211
Toxicity to fish (LC50 in mg/l) as predicted by PNN 27.34972
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.0415
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 5.562
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 1.999
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.80E+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