Substance Identity
CAS Number 589-82-2
Chemical Name 3-Heptanol
Type of substance Organic
SMILES OC(CCCC)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) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.862
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.6739

Underlying data regarding Bioaccumulation

Empirical Log Kow 2.24
Log Kow predicted by KowWin 2.24
Log BAF T2MTL predicted by Gobas 1.07712807661641
Log BCF 5% T2LTL predicted by Gobas 0.991681253920747
Log BCF Max predicted by OASIS 1.83609539751636
Log BCF predicted by BCFWIN 1.025

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 70.4
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 70.4
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 51.242
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 385.0306
Toxicity to fish (LC50 in mg/l) as predicted by Aster 57.66284
Toxicity to fish (LC50 in mg/l) as predicted by PNN 62.46478
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 12.452
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 3.18
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 5.12E+001

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