Substance Identity
CAS Number 108-31-6
Chemical Name 2,5-Furandione
Type of substance Organic
SMILES O=C1OC(=O)C=C1
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 (%) 78.7
Reference (biodegradation result) SIDS Dossier, May 2004
Robust Study Summary (biodegradation result)
108316.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.4383
TOPKAT probability of biodegradation 1
Robust Study Summary (hydrolysis)
108316.doc
EPI Predicted Ozone reaction half-life (days) 6.549
Experimental Atmospheric Oxidation half-life (days) 7.37547892720306
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) 4.741

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 1.62
Log BAF T2MTL predicted by Gobas 0.55273332973639
Log BCF 5% T2LTL predicted by Gobas 0.48782625463232
Log BCF Max predicted by OASIS 1.49757502359331
Log BCF predicted by BCFWIN 0.546

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 85
Experimental result iT (mg/l) 85
Test species iT (Latin) Daphnia mag
Test species iT (Common) Water flea
Final EndPoint iT EC50
Exposure duration iT (hours) 24
Reference iT Umweltforschungsplan des Bundesministers des Innern (OECDG Data File)
Robust Study Summary iT
RSS - iT revised CAS # 108316.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 768
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 165.457
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 176.7063
Toxicity to fish (LC50 in mg/l) as predicted by PNN 4,869.58338
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 196.9
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 62.587
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 7.5
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.65E+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