Substance Identity
CAS Number 513-86-0
Chemical Name 2-Butanone, 3-hydroxy-
Type of substance Organic
SMILES O=C(C(O)C)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)? 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) >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) 15
MITI probability of biodegradation 0.8531
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 1.03829557713053
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) 1.824

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin -0.36
Log BAF T2MTL predicted by Gobas 0.0000540371955876
Log BCF 5% T2LTL predicted by Gobas 0.0005144646215092
Log BCF Max predicted by OASIS 1.01345227301178
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 436.3
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 436.3
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 10,799.693
Toxicity to fish (LC50 in mg/l) as predicted by Aster 12,415.197
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2,553.93032
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 5,365.515
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 179.561
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.08E+002

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