Substance Identity
CAS Number 141-15-1
Chemical Name Butanoic acid, 3,7-dimethyl-7-octenyl ester
Type of substance Organic
SMILES O=C(OCCC(CCCC(=C)C)C)CCC
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) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8114
TOPKAT probability of biodegradation 1
EPI Predicted hydrolysis half-life (days) 1.51E+003
EPI Predicted Ozone reaction half-life (days) 0.955
EPI Predicted Atmospheric Oxidation half-life (days) 0.1683

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 5.62
Log BAF T2MTL predicted by Gobas 5.18512372254435
Log BCF 5% T2LTL predicted by Gobas 4.2125670616415
Log BCF Max predicted by OASIS 4.63247039800715
Log BCF predicted by BCFWIN 2.629

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.15199
Toxicity to fish (LC50 in mg/l) as predicted by Aster 0.15199
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.59995
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.214
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 7.12E-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