Substance Identity
CAS Number 107-92-6
Chemical Name Butanoic acid
Type of substance Organic
SMILES O=C(O)CCC
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 QSAR
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
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.8803
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 4.45601851851852
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) 3.965

Underlying data regarding Bioaccumulation

Empirical Log Kow 0.79
Log Kow predicted by KowWin 1.07
Log BAF T2MTL predicted by Gobas 0.122629060572514
Log BCF 5% T2LTL predicted by Gobas 0.101556826434174
Log BCF Max predicted by OASIS 1.28580394223808
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 379.2
Experimental result iT (mg/l) 379.2
Test species iT (Latin) Xenopus laevis
Test species iT (Common) Clawed toad
Final EndPoint iT EC50
Exposure duration iT (hours) 96
Reference iT Environ.Toxicol.Chem. 10:941-948
Robust Study Summary iT
107926-AT-LC50-F-lepmac.doc
107926-AT-EC50-V-xenlae-5.rtf
107926-AT-LC50-I-dapmag.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 3,400
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 4,888.902
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 1,923.7291
Toxicity to fish (LC50 in mg/l) as predicted by Aster 763.924125
Toxicity to fish (LC50 in mg/l) as predicted by PNN 478.38957
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 1,400
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 763.909
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 167.73
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 4.89E+000

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