Substance Identity
CAS Number 104-76-7
Chemical Name 1-Hexanol, 2-ethyl-
Type of substance Organic
SMILES OCC(CCCC)CC
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? Yes
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)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Water-Soil
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 86
Reference (biodegradation result) PRICE,K.S.; WAGGY,G.T.; CONWAY,R.A.; BRINE SHRIMP BIOASSAY AND SEAWATER BOD OF PETROCHEMICALS.; J. WATER POLLUT. CONTR. FED.; 46:63-77.; 1974
Robust Study Summary (biodegradation result)
104767.doc
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.8649
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.8085

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.73
Log BAF T2MTL predicted by Gobas 1.54639227597456
Log BCF 5% T2LTL predicted by Gobas 1.45218654179166
Log BCF Max predicted by OASIS 2.1822393862602
Log BCF predicted by BCFWIN 1.404

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 28.2
Experimental result iT (mg/l) 28.2
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Center for Lake Superior Environmental Stud., Univ.of Wisconsin-Superior, Superior, WI I:326
Robust Study Summary iT
104767_AT_LC50_pimpro-3.doc
104767-AT-LC50-F-lepmac.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 14.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 19.885
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 126.2942
Toxicity to fish (LC50 in mg/l) as predicted by Aster 17.448322
Toxicity to fish (LC50 in mg/l) as predicted by PNN 34.42221
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 3.406
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 1.582
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.99E+001

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Greatest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment