Substance Identity
CAS Number 99-04-7
Chemical Name Benzoic acid, 3-methyl-
Type of substance Organic
SMILES O=C(O)c(cccc1C)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)? No
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 100
Reference (biodegradation result) WELLENS,H.; DETERMINATION AND EVALUATION OF BIOLOGICAL DEGRADABILITY.; VOM WASSER.; 63:191-8.; 1984
Robust Study Summary (biodegradation result)
99047.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.8615
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 5.231

Underlying data regarding Bioaccumulation

Empirical Log Kow 2.37
Log Kow predicted by KowWin 2.42
Log BAF T2MTL predicted by Gobas 1.19870008289572
Log BCF 5% T2LTL predicted by Gobas 1.11065811206972
Log BCF Max predicted by OASIS 1.95559025440333
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 407.6
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 407.6
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 406.652
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 57.913
Toxicity to fish (LC50 in mg/l) as predicted by Aster 44.640078
Toxicity to fish (LC50 in mg/l) as predicted by PNN 86.42979
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 56.9
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 78.741
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 27.645
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 4.07E-001

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Intermediate Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment