Substance Identity
CAS Number 128-62-1
Chemical Name 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-
Type of substance Organic
SMILES COc2ccc1C(OC(=O)c1c2OC)C4N(C)CCc5cc3OCOc3c(OC)c45
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)? Yes
Rational for iT QSAR
DSL Quantity range (tonnes/year) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 60
MITI probability of biodegradation 0.5304
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.03468

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 1.97
Log BAF T2MTL predicted by Gobas 0.834969120210865
Log BCF 5% T2LTL predicted by Gobas 0.756487930443786
Log BCF Max predicted by OASIS 1.67639719982959
Log BCF predicted by BCFWIN 0.819

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.0026
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 0.0026
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 64.931
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 29,515.5684
Toxicity to fish (LC50 in mg/l) as predicted by Aster 83.785578
Toxicity to fish (LC50 in mg/l) as predicted by PNN 0.07961
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 8.748
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.09E+002

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