Substance Identity
CAS Number 149-57-5
Chemical Name Hexanoic acid, 2-ethyl-
Type of substance Organic
SMILES O=C(O)C(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 Water
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 92.3
Reference (biodegradation result) YAP,M.G.S.; NG,W.J.; CHUA,H.; PERFORMANCE OF AN ANAEROBIC BIOFILTER FOR 2-ETHYLHEXANOIC ACID DEGRADATION.; BIORESOUR. TECHNOL.; 41:45-51; 1992
Robust Study Summary (biodegradation result)
149575.doc
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.7602
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.308

Underlying data regarding Bioaccumulation

Empirical Log Kow 2.64
Log Kow predicted by KowWin 2.96
Log BAF T2MTL predicted by Gobas 1.45823957104058
Log BCF 5% T2LTL predicted by Gobas 1.36555305610004
Log BCF Max predicted by OASIS 2.36534526686422
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 47.3
Experimental result iT (mg/l) 47.3
Test species iT (Latin) Xenopus laevis
Test species iT (Common) Clawed toad
Final EndPoint iT EC50
Exposure duration iT (hours) 96
Reference iT Teratog.Carcinog.Mutagen.16:109-124; Teratology 51(3):174 (1995) (ABS) (Author Communication Used)
Robust Study Summary iT
149575-AT-EC50-O-xenlae.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 939.2
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 133.848
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 29.5353
Toxicity to fish (LC50 in mg/l) as predicted by Aster 21.393242
Toxicity to fish (LC50 in mg/l) as predicted by PNN 136.28659
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 19.454
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 11.962
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.34E-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

AgencyAssessment
EC Developmental - Category 1

Underlying data regarding Complex Hazard Assessment