Substance Identity
CAS Number 97-61-0
Chemical Name Pentanoic acid, 2-methyl-
Type of substance Organic
SMILES O=C(O)C(CCC)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 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
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 8.67
MITI probability of biodegradation 0.7512
TOPKAT probability of biodegradation 1
EPI Predicted Ozone reaction half-life (days) 999
EPI Predicted Atmospheric Oxidation half-life (days) 2.055

Underlying data regarding Bioaccumulation

Empirical Log Kow 1.8
Log Kow predicted by KowWin 1.98
Log BAF T2MTL predicted by Gobas 0.692376686399038
Log BCF 5% T2LTL predicted by Gobas 0.619779870467405
Log BCF Max predicted by OASIS 1.67934768545116
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 151.4
Experimental result iT (mg/l) 151.4
Test species iT (Latin) Xenopus laevis
Test species iT (Common) Clawed toad
Final EndPoint iT EC50
Exposure duration iT (hours) 96
Reference iT Teratog.Carcinog.Mutagen.16:109-124; Teratology 51(3):174 (1995) (ABS) (Author Communication Used)
Robust Study Summary iT
97610-AT-EC50-O-xenlae.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 2,700
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 899.211
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 253.3559
Toxicity to fish (LC50 in mg/l) as predicted by Aster 164.654047
Toxicity to fish (LC50 in mg/l) as predicted by PNN 389.48075
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 641.2
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 162.361
Chronic toxicity to daphnia or algae (EC50 in mg/l) as predicted by Ecosar v0.99g 48.917
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.99E-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


Underlying data regarding Complex Hazard Assessment