Substance Identity
CAS Number 141-78-6
Chemical Name Acetic acid ethyl ester
Type of substance Organic
SMILES O=C(OCC)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)? Yes
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 Air-Water
Experimental Biodegradation half-life (days) Not Available
Predicted Ultimate degradation half-life (days) 15
MITI probability of biodegradation 0.9477
TOPKAT probability of biodegradation 1
Robust Study Summary (hydrolysis)
141786.doc
EPI Predicted hydrolysis half-life (days) 6.64E+002
EPI Predicted Ozone reaction half-life (days) 999
Experimental Atmospheric Oxidation half-life (days) 6.68402777777778
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) 6.278

Underlying data regarding Bioaccumulation

Empirical Log Kow 0.73
Log Kow predicted by KowWin 0.86
Log BAF T2MTL predicted by Gobas 0.105859900789457
Log BCF 5% T2LTL predicted by Gobas 0.0873808329837107
Log BCF Max predicted by OASIS 1.22518317533168
Log BCF predicted by BCFWIN 0.5

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 16.97
Experimental result iT (mg/l) 16.97
Test species iT (Latin) Tetrahyme thermophila
Test species iT (Common) Ciliate Protozoa
Final EndPoint iT EC50
Exposure duration iT (hours) 96
Reference iT FU-Berlin, Inst.f.Biochemie und Molekularbiologie, UFO-Plan, F+E-Vorhaben 106 03 083 (OECDG Data File)
Robust Study Summary iT
RSS - iT revised CAS # 141786.doc
Toxicity to fathead minnow (LC50 in mg/l) as predicted by Topkat v6.1 193.2
Toxicity to fish (LC50 in mg/l) as predicted by Ecosar v0.99g 54.314
Toxicity to fish (LC50 in mg/l) as predicted by Oasis Forecast M v1.10 510.741
Toxicity to fish (LC50 in mg/l) as predicted by Aster 102.04107
Toxicity to fish (LC50 in mg/l) as predicted by PNN 58.11634
Toxicity to daphnia (EC50 in mg/l) as predicted by Topkat v6.1 504
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 762.801
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 2.57E+002

Human Health data supporting decisions
Underlying data regarding potential for exposure

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

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment

Carcinogencity

Screening Outcome Negative
Screening Method
Data Results
Reference TOPKAT v6.2 CASETOX v1.7

Genotoxicity

Screening Outcome Positive
Screening Method
Data Results in vitro Clastogenicity or Aneugenicity
Reference Ishidate, 1984, Fd Chem Toxicol. 22:623-636 Huels-Bericht, 1981, unpublished data Loveday, 1990, Environ Mol Mutagen 16:272-303 Shirasu, 1976, Mutat Res, 40:19-30 Perocco, 1983, Toxicol Lett 16:69 Mayer, 1987a, Mutat Res 187:31-35 Mayer, 1987b 187:21-30 Zimmermann, 1985 Mutat Res 149:339-351 Basler, 1986, Mutat Res 174:11-13 Hayashi, 1988, Fd Chem Toxicol 26:487-500 (all studies as cited in BIBRA, 1992; IUCLID, 2000; CCRIS, 2001)

Reference/Regulatory Values

Screening Outcome Negative
Screening Method
Data Results RfD 0.9 mg/kg/day
Reference US EPA, 1986 (cited in IRIS 2006)