Substance Identity
CAS Number 50-23-7
Chemical Name Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11 )-
Type of substance Organic
SMILES O=C(C(O)(C(C(C(C(C(C(=CC(=O)C1)C2)(C1)C)C3O)C2)C4)(C3)C)C4)CO
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) 60
MITI probability of biodegradation 0.1929
EPI Predicted Ozone reaction half-life (days) 1.007
EPI Predicted Atmospheric Oxidation half-life (days) 0.09357

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.61
Log Kow predicted by KowWin 1.62
Log BAF T2MTL predicted by Gobas 0.545374116965913
Log BCF 5% T2LTL predicted by Gobas 0.480937401134456
Log BCF Max predicted by OASIS 1.49588879622912
Log BCF predicted by BCFWIN 0.54

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 2.02343
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 415.769
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 3,822.4885
Toxicity to fish (LC50 in mg/l) as predicted by Aster 6,373.7525
Toxicity to fish (LC50 in mg/l) as predicted by PNN 2.02343
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1,042.923
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 6.12E+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