Substance Identity
CAS Number 4940-11-8
Chemical Name 4H-Pyran-4-one, 2-ethyl-3-hydroxy-
Type of substance Organic
SMILES O1C(CC)=C(O)C(=O)C=C1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
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) >1T to 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 0.6718
TOPKAT probability of biodegradation 0.814
EPI Predicted Ozone reaction half-life (days) 0.8731
EPI Predicted Atmospheric Oxidation half-life (days) 0.2096

Underlying data regarding Bioaccumulation

Empirical Log Kow 0.63
Log Kow predicted by KowWin 0.3
Log BAF T2MTL predicted by Gobas 0.0814528276491076
Log BCF 5% T2LTL predicted by Gobas 0.0669011438021939
Log BCF Max predicted by OASIS 1.09964230364523
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1127.877
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 1,127.877
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 11,118.1514
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1,813.137375
Toxicity to fish (LC50 in mg/l) as predicted by PNN 6,207.24801
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 5,691.959
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 4.12E+001

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment