Substance Identity
CAS Number 78-93-3
Chemical Name 2-Butanone
Type of substance Organic
SMILES O=C(CC)C
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)? Yes
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
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 89
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
78933.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8514
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 9.29951690821256
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) 8.025

Underlying data regarding Bioaccumulation

Empirical Log Kow 0.29
Log Kow predicted by KowWin 0.26
Log BAF T2MTL predicted by Gobas 0.0253407570699728
Log BCF 5% T2LTL predicted by Gobas 0.0205423292925737
Log BCF Max predicted by OASIS 1.09279629682341
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 400
Experimental result iT (mg/l) 400
Exposure duration iT (hours) 96
Robust Study Summary iT
78933-AT-LC50-O-Cypvar.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 1,100
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2,309.842
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2,024.39475
Toxicity to fish (LC50 in mg/l) as predicted by PNN 595.72638
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 2,600
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1,241.316
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 52.575
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.31E+003

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