Substance Identity
CAS Number 147-93-3
Chemical Name Benzoic acid, 2-mercapto-
Type of substance Organic
SMILES O=C(O)c(c(S)ccc1)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 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 Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.7311
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 2.27

Underlying data regarding Bioaccumulation

Empirical Log Kow 2.39
Log Kow predicted by KowWin 2.22
Log BAF T2MTL predicted by Gobas 1.21762648390453
Log BCF 5% T2LTL predicted by Gobas 1.12921491529845
Log BCF Max predicted by OASIS 1.82573373535316
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 45.066961
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 165.776
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 103.7589
Toxicity to fish (LC50 in mg/l) as predicted by Aster 45.066961
Toxicity to fish (LC50 in mg/l) as predicted by PNN 156.70115
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 120.1
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 133.174
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 7.10E-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