Substance Identity
CAS Number 55-63-0
Chemical Name 1,2,3-Propanetriol, trinitrate
Type of substance Organic
SMILES O(N(=O)=O)CC(O(N(=O)=O))CO(N(=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)? Yes
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Air-Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.0366
TOPKAT probability of biodegradation 1
Experimental Hydrolysis half-life (days) 3,650
Reference (hydrolysis) ELLINGTON,J.J.; STANCIL,F.E.; PAYNE,W.D.; MEASUREMENT OF HYDROLYSIS RATE CONSTANTS FOR EVALUATION OF HAZARDOUS WASTE LAND DISPOSAL. VOLUME 1. DATA ON 32 CHEMICALS; EPA/600/3-86/043(PB87-140349/GAR); 1987A
Robust Study Summary (hydrolysis)
55630.doc
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 9.741

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.62
Log Kow predicted by KowWin 1.51
Log BAF T2MTL predicted by Gobas 0.55273332973639
Log BCF 5% T2LTL predicted by Gobas 0.48782625463232
Log BCF Max predicted by OASIS 1.45068631111763
Log BCF predicted by BCFWIN 0.547

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 2.5
Experimental result iT (mg/l) 2.5
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT U.S.Army Medical Res.Develop.Command, Washington, D.C.:82 p.(U.S.NTIS AD-A061739)
Robust Study Summary iT
55630-AT-LC50-F-Pimpro.doc
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 486.177
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 509.7086
Toxicity to fish (LC50 in mg/l) as predicted by Aster 1,529.349125
Toxicity to fish (LC50 in mg/l) as predicted by PNN 1,339.99949
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 0.0000156 E-05
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 198.927
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 20.845
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 4.86E+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