Substance Identity
CAS Number 118-79-6
Chemical Name Phenol, 2,4,6-tribromo-
Type of substance Organic
SMILES Oc(c(cc(c1)Br)Br)c1Br
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 Experiment
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) 0 to 1T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water-Soil
Experimental Biodegradation half-life (days) Not Available
Robust Study Summary (biodegradation result)
118796.doc
Predicted Ultimate degradation half-life (days) 60
MITI probability of biodegradation 0.1432
TOPKAT probability of biodegradation 0.909
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 22.52

Underlying data regarding Bioaccumulation

Empirical Log Kow 4.13
Reference (Log Kow) HANSCH,C & LEO,AJ (1985)
Log Kow predicted by KowWin 4.18
Log BAF T2MTL predicted by Gobas 2.5133199117917
Log BCF 5% T2LTL predicted by Gobas 2.46997403464271
Log BCF Max predicted by OASIS 3.50158769991501
Log BCF predicted by BCFWIN 2.08
Experimental BCF (log) 2.71
Reason for pivotal value Only Vertebrate BCF
Test species BCF/BAF (Latin) Brachydanio rerio
Test species BCF/BAF (Common) Zebrafish
Mean water concentration (ug/l) 7.4
Mean water concentration (comment) Below water solubility by a factor of 5
Water concentration: Measured/Nominal/Uncertain Measured
RadioLabel No
Exposure duration (comment) Uncertain exposure duration; K1/K2
Exposure type Flow-through
Mean temperature (deg. Celcius) 25
Exposure route Water
Exposure media Fresh Water
Mean measured lipid content (%) 4
Tissue analysed Whole body
Calculation method K1/K2
Reference (BAF/BCF) Butte, W., Willing, A., Zauke, G.-P.. 1987. Bioaccumulation of Phenols in Zebrafish Determined by a Dynamic Flow Through Test. QSAR in Environmental Toxicology II pp.43-53 (K.L.E. Kaiser, Ed)

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 4.5
Experimental result iT (mg/l) 4.5
Test species iT (Latin) Pimephales promelas
Test species iT (Common) Fathead minnow
Final EndPoint iT LC50
Exposure duration iT (hours) 192
Reference iT Bull.Environ.Contam.Toxicol. 26(5):585-593 (Author Communication Used) (OECDG Data File)
Robust Study Summary iT
118796-AT-LC50-I-dapmag.doc
118796-AT-LC50-Dapmag.doc
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2.206
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 1.7157
Toxicity to fish (LC50 in mg/l) as predicted by Aster 4.828458
Toxicity to fish (LC50 in mg/l) as predicted by PNN 0.95721
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 2.1
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 1.933
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 7.30E-001

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