Substance Identity
CAS Number 25265-77-4
Chemical Name Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol
Type of substance Organic
SMILES O=C(OCC(C(C(C)C)O)(C)C)C(C)C
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? Yes
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 Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.5931
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 5.55E+003
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.6585

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3
Log BAF T2MTL predicted by Gobas 1.81477087080589
Log BCF 5% T2LTL predicted by Gobas 1.71526106469977
Log BCF Max predicted by OASIS 2.39603004351021
Log BCF predicted by BCFWIN 1.607

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 9.552
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 9.552
Toxicity to fish (LC50 in mg/l) as predicted by Aster 24.625578
Toxicity to fish (LC50 in mg/l) as predicted by PNN 22.9901
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 21.14
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 6.14E+000

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment