Substance Identity
CAS Number 14816-18-3
Chemical Name 3,5-Dioxa-6-aza-4-phosphaoct-6-ene-8-nitrile, 4-ethoxy-7-phenyl-, 4-sulfide
Type of substance Organic
SMILES CCOP(=S)(OCC)ON=C(C(#N))c1ccccc1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? Yes
Persistent (P)? Yes
Rational for P Experiment
Bioaccumulative (B)? No
Rational for B Experiment
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT Experiment
DSL Quantity range (tonnes/year) 0 to 1T
Basis for Environment Categorization (PiT, BiT, PBiT) if categorized? PiT

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 (%) 3
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.0127
TOPKAT probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.1115

Underlying data regarding Bioaccumulation

Empirical Log Kow 4.39
Reference (Log Kow) HANSCH,C & LEO,AJ (1985)
Log Kow predicted by KowWin 4.39
Log BAF T2MTL predicted by Gobas 2.72139572954429
Log BCF 5% T2LTL predicted by Gobas 2.67856834868706
Log BCF Max predicted by OASIS 3.69889138325808
Log BCF predicted by BCFWIN 2.68
Experimental BCF (log) 2.99630686775533
Reason for pivotal value Average Vertebrate BCF
Test species BCF/BAF (Latin) Cyprinus carpio
Test species BCF/BAF (Common) Common carp
Mean water concentration (ug/l) 1.66
Mean water concentration (comment) Below water solubility by a factor of 5
Water concentration: Measured/Nominal/Uncertain Measured
RadioLabel No
Exposure duration (days) 56
Exposure duration (comment) Sufficient exposure duration for 80% steady state; "Reported steady state"
Exposure type Flow-through
Mean temperature (deg. Celcius) 22
Exposure route Water (but fed)
Exposure media Fresh Water
Mean measured lipid content (%) 4.7
Tissue analysed Whole body
Calculation method Cb/Cw
Comment (BAF/BCF) Average BCF; Apparent measured water concentrations; Reported "Steady state"
Reference (BAF/BCF) Chemicals Evaluation and Research Institute. 1992. Biodegradation and Bioconcentration of Existing Chemical Substances under the Chemical Substances Control Law. http://qsar.cerij.or.jp/cgi-bin/DEGACC/index.cgi?e

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.082
Experimental result iT (mg/l) 0.082
Test species iT (Latin) Lepomis macrochirus
Test species iT (Common) Bluegill
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Resour.Publ.137, Fish Wildl.Serv., U.S.D.I., Washington, D.C :98 p. (OECDG Data File)
Robust Study Summary iT
14816183-AT-LC50-I-anofre.doc
14816183-AT-LC50-F-Lepmac-3.doc
14816183-AT-LC50-F-oncmyk-4.doc
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 0.6669
Toxicity to fish (LC50 in mg/l) as predicted by PNN 1.40109
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 3.319
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.25E-002

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