Substance Identity
CAS Number 504-20-1
Chemical Name 2,5-Heptadien-4-one, 2,6-dimethyl-
Type of substance Organic
SMILES O=C(C=C(C)C)C=C(C)C
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) >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) 15
MITI probability of biodegradation 0.3784
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 0.0775
EPI Predicted Atmospheric Oxidation half-life (days) 0.1743

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.68
Log BAF T2MTL predicted by Gobas 1.49733075060885
Log BCF 5% T2LTL predicted by Gobas 1.40397517857216
Log BCF Max predicted by OASIS 2.1444343445651
Log BCF predicted by BCFWIN 1.366

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 33.164
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 33.164
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 38.8607
Toxicity to fish (LC50 in mg/l) as predicted by PNN 67.96009
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 47.453
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.35E-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