Substance Identity
CAS Number 69-57-8
Chemical Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2à,5à,6 )]-, monosodium salt
Type of substance Organic
SMILES N12C(=O)C(NC(=O)Cc3ccccc3)C1SC(C)(C)C2C(=O)O
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) >1T to 1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.0242
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.1534

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 1.85
Log BAF T2MTL predicted by Gobas 0.733349646445362
Log BCF 5% T2LTL predicted by Gobas 0.65888545104743
Log BCF Max predicted by OASIS 1.6096241146354
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 322.92286
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 3,429.704
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 1,790.4639
Toxicity to fish (LC50 in mg/l) as predicted by Aster 472.763813
Toxicity to fish (LC50 in mg/l) as predicted by PNN 322.92286
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 606.606
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 174.685
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 3.43E+000

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