Substance Identity
CAS Number 2530-10-1
Chemical Name Ethanone, 1-(2,5-dimethyl-3-thienyl)-
Type of substance Organic
SMILES S1C(C)=C(C(=O)C)C=C1C
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 Air-Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.416
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.8085

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.59
Log BAF T2MTL predicted by Gobas 1.40958432871006
Log BCF 5% T2LTL predicted by Gobas 1.31772859231857
Log BCF Max predicted by OASIS 2.07404643585063
Log BCF predicted by BCFWIN 0.453

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 27.9285
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 27.9285
Toxicity to fish (LC50 in mg/l) as predicted by Aster 53.732309
Toxicity to fish (LC50 in mg/l) as predicted by PNN 62.11468
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 63.427
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.19E-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