Substance Identity
CAS Number 107-12-0
Chemical Name Propanenitrile
Type of substance Organic
SMILES C(#N)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)? Yes
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1T to 1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8346
TOPKAT probability of biodegradation 1
Experimental Ozone Reaction half-life (days) 114.583333333333
Reference (ozone reaction) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 55.1260022909508
Reference (oxidation) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
EPI Predicted Atmospheric Oxidation half-life (days) 55.2

Underlying data regarding Bioaccumulation

Empirical Log Kow 0.16
Log Kow predicted by KowWin 0.35
Log BAF T2MTL predicted by Gobas 0.0120959322428886
Log BCF 5% T2LTL predicted by Gobas 0.00975406293047336
Log BCF Max predicted by OASIS 1.10836895489452
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1520
Experimental result iT (mg/l) 1520
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Center for Lake Superior Environmental Stud., Univ.of Wisconsin-Superior, Superior, WI I:332
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 1,452.091
Toxicity to fish (LC50 in mg/l) as predicted by Aster 2,312.741
Toxicity to fish (LC50 in mg/l) as predicted by PNN 187.08052
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 2,200
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 789.303
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 34.593
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.45E+003

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