Substance Identity
CAS Number 17540-75-9
Chemical Name Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)-
Type of substance Organic
SMILES Oc(c(cc(c1)C(CC)C)C(C)(C)C)c1C(C)(C)C
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 QSAR
Bioaccumulative (B)? Yes
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? Yes
Rational for iT QSAR
DSL Quantity range (tonnes/year) 0 to 1T
Basis for Environment Categorization (PiT, BiT, PBiT) if categorized? PBiT

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Soil
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 60
MITI probability of biodegradation 0.0644
TOPKAT probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 0.5225

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 6.43
Log BAF T2MTL predicted by Gobas 6.14995209230753
Log BCF 5% T2LTL predicted by Gobas 4.59911985195141
Log BCF Max predicted by OASIS 4.83088293293352
Log BCF predicted by BCFWIN 3.8

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 0.072
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 0.072
Toxicity to fish (LC50 in mg/l) as predicted by PNN 0.07574
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 0.049
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 1.63E-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