Substance Identity
CAS Number 39251-86-0
Chemical Name 2-Furancarboxylic acid, hexyl ester
Type of substance Organic
SMILES O1C(C(=O)OCCCCCC)=CC=C1
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) 0 to 1T

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 0.8622
TOPKAT probability of biodegradation 0.002
EPI Predicted hydrolysis half-life (days) 9.55E+002
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.5221

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.41
Log BAF T2MTL predicted by Gobas 2.23355318094686
Log BCF 5% T2LTL predicted by Gobas 2.11991515886902
Log BCF Max predicted by OASIS 2.75768785398016
Log BCF predicted by BCFWIN 1.922

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1.156692
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 5.229
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1.156692
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.52464
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 221.8
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 8.123
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 6.88E-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