Substance Identity
CAS Number 85-44-9
Chemical Name 1,3-Isobenzofurandione
Type of substance Organic
SMILES O=C(OC(=O)c1cccc2)c12
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 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 Water-Soil
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 85
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)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.2193
TOPKAT probability of biodegradation 1
Robust Study Summary (hydrolysis)
85449.doc
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 14.28

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.6
Log Kow predicted by KowWin 2.07
Log BAF T2MTL predicted by Gobas 0.538060161966732
Log BCF 5% T2LTL predicted by Gobas 0.474098101127741
Log BCF Max predicted by OASIS 1.73133699888983
Log BCF predicted by BCFWIN 0.532

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 4.1
Experimental result iT (mg/l) 4.1
Exposure duration iT (hours) 96
Robust Study Summary iT
85449-AT-EC50-O-selcap.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 22.5
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 94.365
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 95.7936
Toxicity to fish (LC50 in mg/l) as predicted by PNN 15.21068
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 61.4
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 25.889
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 5.373
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 9.44E-001

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