Substance Identity
CAS Number 100-21-0
Chemical Name 1,4-Benzenedicarboxylic acid
Type of substance Organic
SMILES O=C(O)c(ccc(c1)C(=O)O)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 Experiment
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT Experiment
DSL Quantity range (tonnes/year) >1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 75
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.9569
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 8.647

Underlying data regarding Bioaccumulation

Empirical Log Kow 2
Log Kow predicted by KowWin 1.76
Log BAF T2MTL predicted by Gobas 0.861027829736067
Log BCF 5% T2LTL predicted by Gobas 0.781639979553778
Log BCF Max predicted by OASIS 1.56271048137734
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1000
Experimental result iT (mg/l) 1000
Test species iT (Latin) Leuciscus idus melanotus
Test species iT (Common) Golden orfe
Final EndPoint iT LC50
Exposure duration iT (hours) 96
Reference iT OECD SIDS
Robust Study Summary iT
100210-AT-EC50-I-dapmag-2.doc
100210_AT_LC50_leuidus.doc
100210-AT-LC50-O-tetpyr.doc
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 2,070.425
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 281.8366
Toxicity to fish (LC50 in mg/l) as predicted by Aster 170.430016
Toxicity to fish (LC50 in mg/l) as predicted by PNN 247.42465
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 360.994
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 100.753
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.07E+000

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Intermediate Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment