Substance Identity
CAS Number 123-94-4
Chemical Name Octadecanoic acid, 2,3-dihydroxypropyl ester
Type of substance Organic
SMILES O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC
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) >1T to 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 0.9863
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 2.82E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.2825

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 6.62
Log BAF T2MTL predicted by Gobas 6.29561629283518
Log BCF 5% T2LTL predicted by Gobas 4.60573085886856
Log BCF Max predicted by OASIS 4.81709024962503
Log BCF predicted by BCFWIN 2.894

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.046
Toxicity to fish (LC50 in mg/l) as predicted by PNN 7.85338
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.046
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.52E-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
OECD No need to Assess List

Underlying data regarding Complex Hazard Assessment