Substance Identity
CAS Number 1694-09-3
Chemical Name Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
Type of substance Organic
SMILES OS(=O)(=O)c3cc(ccc3)CN(=C1C=CC(=C(c4ccc(cc4)N(Cc5cc(ccc5)S(=O)(=O)O)CC)c2ccc(cc2)N(C)C)C=C1)CC
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? Yes
Meets Human Health Categorization Criteria? Yes
Meets Environmental Criteria for Categorization? No
Persistent (P)? Yes
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1T to 1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 182
MITI probability of biodegradation 0
EPI Predicted Ozone reaction half-life (days) 0.00981
EPI Predicted Atmospheric Oxidation half-life (days) 0.02259

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin -0.83
Log BAF T2MTL predicted by Gobas 0.0000540371955876
Log BCF 5% T2LTL predicted by Gobas 0.0005144646215092
Log BCF Max predicted by OASIS 0.978842101820013
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 14.22822
Toxicity to fish (LC50 in mg/l) as predicted by PNN 14.22822

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
IARC Carcinogenicity - Group 2B
EC Carcinogenicity - Category 3

Underlying data regarding Complex Hazard Assessment