Substance Identity
CAS Number 108-67-8
Chemical Name Benzene, 1,3,5-trimethyl-
Type of substance Organic
SMILES c(cc(cc1C)C)(c1)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 Category
Bioaccumulative (B)? No
Rational for B Experiment
Inherently Toxic to Aquatic Organisms (iT)? No
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 Air-Soil
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 72
Reference (biodegradation result) ExxonBobil. Ready biodegradability: OECD 301F Manometric Respirometry Test. Report No. 100094A(A) and 100094A(B)
Robust Study Summary (biodegradation result)
108678.doc
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.5837
TOPKAT probability of biodegradation 0.028
Experimental Ozone Reaction half-life (days) 5,208.33333333333
Reference (ozone reaction) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 0.185990338164251
Reference (oxidation) ATKINSON,R.; KINETICS AND MECHANISMS OF THE GAS-PHASE REACTIONS OF THE HYDROXYL RADICAL WITH ORGANIC COMPOUNDS.; JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA. MONOGRAPH NO. 1.; 1989
Robust Study Summary (oxidation)
108678.doc
EPI Predicted Atmospheric Oxidation half-life (days) 0.3047

Underlying data regarding Bioaccumulation

Empirical Log Kow 3.42
Reference (Log Kow) HANSCH,C & LEO,AJ (1985)
Log Kow predicted by KowWin 3.63
Log BAF T2MTL predicted by Gobas 2.24397149191117
Log BCF 5% T2LTL predicted by Gobas 2.12982613421078
Log BCF Max predicted by OASIS 2.97277304300557
Log BCF predicted by BCFWIN 1.933
Experimental BCF (log) 2.26392444559908
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) 150
Mean water concentration (comment) Below water solubility by a factor of 5
Water concentration: Measured/Nominal/Uncertain Measured
RadioLabel No
Exposure duration (days) 70
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 (%) 2.7
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) 4.3
Experimental result iT (mg/l) 4.3
Test species iT (Latin) Cancer magister
Test species iT (Common) Dungeness or edible crab
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT In: D.A.Wolfe (Ed.) Fate and Effects of Petroleum Hydrocarbons in Marine Ecosystems and Organisms, Pergamon Press, NY :210-220
Robust Study Summary iT
108678-AT-LC50-I-Canmag.doc
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2.616
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 4.2822
Toxicity to fish (LC50 in mg/l) as predicted by Aster 3.274307
Toxicity to fish (LC50 in mg/l) as predicted by PNN 11.34222
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 4.8
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.236
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 0.328
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.62E+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