Substance Identity
CAS Number 105-68-0
Chemical Name 1-Butanol, 3-methyl-, propanoate
Type of substance Organic
SMILES O=C(OCCC(C)C)CC
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) >1T to 1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8865
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 9.27E+002
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 1.664

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 2.76
Log BAF T2MTL predicted by Gobas 1.57593025175532
Log BCF 5% T2LTL predicted by Gobas 1.4812031287859
Log BCF Max predicted by OASIS 2.20025591873494
Log BCF predicted by BCFWIN 1.421

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 16.9
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 16.9
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 8.559
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 21.952
Toxicity to fish (LC50 in mg/l) as predicted by Aster 6.43788
Toxicity to fish (LC50 in mg/l) as predicted by PNN 14.96813
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.1608
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 23.303
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 6.88E+000

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