Substance Identity
CAS Number 108-39-4
Chemical Name Phenol, 3-methyl-
Type of substance Organic
SMILES Oc(cccc1C)c1
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 QSAR
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 Water-Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.6637
TOPKAT probability of biodegradation 0.922
Experimental Ozone Reaction half-life (days) 19.0972222222222
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) 0.167100694444444
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
EPI Predicted Atmospheric Oxidation half-life (days) 0.1225

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.96
Log Kow predicted by KowWin 2.06
Log BAF T2MTL predicted by Gobas 0.82633765707397
Log BCF 5% T2LTL predicted by Gobas 0.748167064615936
Log BCF Max predicted by OASIS 1.72626778156865
Log BCF predicted by BCFWIN 0.809

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 8.9
Experimental result iT (mg/l) 8.9
Test species iT (Latin) Oncorhynchus mykiss
Test species iT (Common) Rainbow trout,doldson trout
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT Arch.Environ.Contam.Toxicol. 9(5):557-568
Robust Study Summary iT
108394-AT-LC50-F-salgai.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 53
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 14.589
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 46.2664
Toxicity to fish (LC50 in mg/l) as predicted by Aster 28.899211
Toxicity to fish (LC50 in mg/l) as predicted by PNN 18.19334
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 15.3
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 47.522
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.35E+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

AgencyAssessment
USEPA 1986 Carcinogenicity - Group C

Underlying data regarding Complex Hazard Assessment