Substance Identity
CAS Number 100-47-0
Chemical Name Benzonitrile
Type of substance Organic
SMILES C(#N)c(cccc1)c1
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) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Water
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 63
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.5947
TOPKAT probability of biodegradation 0.821
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 32.4074074074074
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
Robust Study Summary (oxidation)
100470.doc
EPI Predicted Atmospheric Oxidation half-life (days) 31.07

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.56
Log Kow predicted by KowWin 1.54
Log BAF T2MTL predicted by Gobas 0.509266393978719
Log BCF 5% T2LTL predicted by Gobas 0.447244748788131
Log BCF Max predicted by OASIS 1.46250628641351
Log BCF predicted by BCFWIN 0.501

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 15
Experimental result iT (mg/l) 15
Test species iT (Latin) Oryzias latipes
Test species iT (Common) Medaka, high-eyes
Final EndPoint iT LC50
Exposure duration iT (hours) 48
Reference iT J.Toxicol.Sci. 7(3):193-203
Robust Study Summary iT
100470-AT-LC50-F-Orylat.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 65.9
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 206.9
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 374.3093
Toxicity to fish (LC50 in mg/l) as predicted by Aster 192.264625
Toxicity to fish (LC50 in mg/l) as predicted by PNN 58.67226
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 11.4
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 82.863
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 9.007
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.07E+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