Substance Identity
CAS Number 53980-88-4
Chemical Name 2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-
Type of substance Organic
SMILES O=C(C1CC(C=CC1CCCCCCCC(=O)O)CCCCCC)O
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? Yes
Persistent (P)? No
Rational for P QSAR
Bioaccumulative (B)? Yes
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1T to 1000T
Basis for Environment Categorization (PiT, BiT, PBiT) if categorized? BiT

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.4247
TOPKAT probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 0.0573
EPI Predicted Atmospheric Oxidation half-life (days) 0.1285

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 7.05
Log BAF T2MTL predicted by Gobas 6.5097828790222
Log BCF 5% T2LTL predicted by Gobas 4.50799643125257
Log BCF Max predicted by OASIS 4.70046026807821
Log BCF predicted by BCFWIN 1

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.019
Toxicity to fish (LC50 in mg/l) as predicted by PNN 13.92061
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.019
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 0.033
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.89E-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