Substance Identity
CAS Number 111-03-5
Chemical Name 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester
Type of substance Organic
SMILES O=C(OCC(O)CO)CCCCCCCC=CCCCCCCCC
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 Category
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1000T

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) 15
MITI probability of biodegradation 0.9717
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 2.82E+003
EPI Predicted Ozone reaction half-life (days) 0.08815
EPI Predicted Atmospheric Oxidation half-life (days) 0.1177

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 6.4
Log BAF T2MTL predicted by Gobas 6.12396394906175
Log BCF 5% T2LTL predicted by Gobas 4.59490319022485
Log BCF Max predicted by OASIS 4.83097462058678
Log BCF predicted by BCFWIN 2.729

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.07
Toxicity to fish (LC50 in mg/l) as predicted by PNN 7.86515
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.07
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.35E-002

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Intermediate Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment

AgencyAssessment
US EPA 4A List 4A Inert

Underlying data regarding Complex Hazard Assessment