Substance Identity
CAS Number 112-02-7
Chemical Name 1-Hexadecanaminium, N,N,N-trimethyl-, chloride
Type of substance Organic
SMILES CCCCCCCCCCCCCCCCN(C)(C)C
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)? Yes
Rational for iT Experiment
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
Experimental Biodegradation result (%) 70.3
Reference (biodegradation result) LARSON,R.J.; PERRY,R.L.; USE OF THE ELECTROLYTIC RESPIROMETER TO MEASURE BIODEGRADATION IN NATURAL WATERS.; WATER RES.; 15:697-702; 1981
Robust Study Summary (biodegradation result)
112027.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.7476
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.3131

Underlying data regarding Bioaccumulation

Empirical Log Kow 3.23
Log Kow predicted by KowWin 3.18
Log BAF T2MTL predicted by Gobas 2.04784228486047
Log BCF 5% T2LTL predicted by Gobas 1.94177703503263
Log BCF Max predicted by OASIS 2.5582086229794
Log BCF predicted by BCFWIN 1.85

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.067
Experimental result iT (mg/l) 0.067
Test species iT (Latin) Brachionus calyciflorus
Test species iT (Common) Rotifer
Final EndPoint iT EC50
Exposure duration iT (hours) 48
Reference iT Environ.Toxicol.Chem. 16(5):1051-1058
Robust Study Summary iT
112027-AT-LC50-I-bracal-2.doc
112027-AT-LC50-I-dapmag.doc
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 90,824.875
Toxicity to fish (LC50 in mg/l) as predicted by PNN 0.4031
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 35.841
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.64E-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