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Data bank of environmental chemicals     |     The Finnish Environment Institute (SYKE)
 


9.12.2019

Data bank of environmental properties of chemicals


Chemical
Ethyl acetate
CAS-number :
141-78-6
 
Synonyms :
Acetic acid ethyl ester
acetic ether
Acetidin.
ethyl ethanoate
ethylacetic ester
Etyyliasetaatti
vinegar naphtha
 
Sumformula of the chemical :
C4H8O2
EINECS-number :
2055004
 
Purity, % :
85  85 - 88 %
95  95 - 98 %
98 
 
Known impurities :
Oponite ethanate 0.00125 %,
Methyl isobutyl ketone 0.01 %,
Ethanol 0.05 %.
 
Uses :
Solvent. 
Synthetic flavouring; adjuvant.
 
State and appearance :
Colourless liquid. 
Will float in slick and dissolve at moderate
rate.
 
Odor :
Pleasant, fruity odour.

Recognition odour 50 ppm in air.

Quality: sweet, ester
Hedonic tone: pleasant
Threshold odour concentration
absolute: 6.3 ppm
50 % recognition: 13.2 ppm
100 % recognition: 13.2 ppm
Odour index 100 % recognition: 7 575
(Hellman & Small 1974)
 
Molecular weight :
88.1
 
Spesicif gravity (water=1) :
0.9 
 
Vapor density (air=1) :
3.04 
 
Vapor pressure, mmHg :
76  20 °C
69  19 °C, Ambrose 1981
 
Water solubility, mg/l :
87000  20 °C
64000  Wasik 1981
 
Melting point, °C :
-83.6 
 
Boiling point, °C :
77 
 
Log octanol/water coefficient, log Pow :
0.73  Hansch & Leo 1979
0.73  Sangster 1989
 
Henry's law constant, Pa x m3/mol :
12.2  Bocek 1976
 
Volatilization :
Relative volatility (nBuAc=1) = 4.2
 
Mobility :
Ethyl acetate is very soluble in water and therefore would not
be expected to adsorb significantly to soil. 
(Lyman et al. 1982)
 
Photochemical degradation in air :
Ethyl acetate reacts with photochemically produced hydroxyl
radicals in the atmosphere by H-atom abstraction from the OCH2
entity with a measured half-life of 8.3 days (12 hr sunlit day,
clean atmosphere) and 2.1 days (12 hr sunlit day, moderately
polluted atmosphere) (Campbell 1978).

Photooxidation half-life in air:
14.7d - 1.47d, based upon measured rate constant for reaction
with hydroxyl radical in air (Howard 1991).
 
Photochemical degradation in water :
Photooxidation half-life in water:
110yr - 2.75yr, based lupon measured rate constant for reaction
with hydroxyl radical in water (Howard 1991).
 
Hydrolysis in water :
Slowly hydrolyses to acetic acid ethanol.

Firs-order hydrolysis half-life:
2.02yr, (t1/2 at pH 7 and 20 °C) Based upon measured rate
constants for acid and base catalyzed and neutral hydrolysis
(Howard 1991).

Ethyl acetate is resistant to hydrolysis under neutral
conditions. 
The base catalyzed process is dominant and leads to
a half-life of 2 yr at pH 7 and 25°C (Mabey & Mill 1978).
 
Hydrolysis in acid :
Acid rate constant (M(H+)-hr)-1:
3.05X10-8, (t1/2_1.42X104 hours (1.62years) at pH 5 20 °C) 
Based upon measured rate constants for acid and base catalyzed 
and neutral hydrolysis (Howard 1991).
 
Hydrolysis in base :
Base rate constant (M(OH-)-hr)-1:
2.99X10-5, (t1/2 = 178 hours (7.42 days) at pH 9 and 20 °C) 
Based upon measured rate constants for acid and base catalyzed 
and neutral hydrolysis (Howard 1991).
 
Half-life in air, days :
14.7  14.7d - 1.47d,
1.47  based upon photooxidation half-life in air
  (Howard 1991)
 
Half-life in soil, days :
7d - 1d,
scientific judgement based upon unacclimated aqueous aerobic biodegradation half-life
  (Howard 1991)
 
Half-life in water, days :
7d - 1d,
in surface water: scientific judgement based upon unacclimated aqueous aerobic biodegradation half-life.
14  14d - 2d,
in ground water: scientific judgement based upon unacclimated aqueous aerobic biodegradation half-life
  (Howard 1991)
 
Aerobic degradation in water :
Aerobic half-life:
7d - 1d, scientific judgement based upon unacclimated aqueous 
aerobic biodegradation screening test data (Howard 1991).
 
Anaerobic degradation in water :
Anaerobic half-life:
28d - 4d, scientific judgement based upon unacclimated aqueous 
aerobic biodegradation half-life (Howard 1991).
 
Other information of degradation :
Biodegrades at moderate rate (Sax 1986).

Ethyl acetate is normally easily biodegraded. 
Reported 5 day
BOD values using a sewage inoculum range from 36 to 68% of
theoretical with the value being somewhat reduced in salt
water (Howard 1990).
 
Other information of bioaccumulation :
Potential for accumulation: negative (Sax 1986).
 
LD50 values to mammals in oral exposure, mg/kg :
11300  orl-rat, Sax 1986
4935  orl-rbt
  --
5500  orl-gpg, Sweet 1987
4100  orl-mus
5620  orl-rat
 
LD50 values to mammals in non-oral exposure , mg/kg :
709  ipr-mus, Sax 1986
3000  scu-cat, scu-gpg
 
LC50 values to mammals in inhalation exposure, ppm :
1600  ihl-rat, Sax 1986
 
LDLo values to mammals in non-oral exposure , mg/kg :
5000  scu-rat, Sax 1986
 
LCLo values to mammals in inhalation exposure, mg/kg :
31000  103min, ihl-mus, Sax 1986
61000  ihl-cat
77  60min, ihl-gpg
 
TDLo values to mammals in non-oral exposure , mg/kg :
3600  ipr-mus, tumorigenic, Sax 1986
 
TCLo values to mammals in inhalation exposure, ppm :
400  ihl-hmn, Sax 1986
 
Other information of mammals :
Skin and eye irritation:
eye, human, 400 ppm (Sweet 1987).
 
Health effects :
Direct contact: Moderately irritating eyes, mucous membranes,
gums, and respiratory tract. 
Anesthetic over 2000 ppm.

Prolonged inhalation can cause renal or hepatic damage.

Prolonged contact can cause conjunctival irritation and corneal
clouding (Sax 1986).

Moderately toxic via all routes with acute exposure. 
Toxic
chronically to a lesser degree via all routes. 
Irritant (Sax
1986).

Skin and eye irritation: eye-hmn 400 ppm (Sax 1986).
 
Carcinogenicity :
Rat-tumor, negative - in diet 300 days (Sax 1986).
 
Mutagenicity :
Mutation data:
cyt, ham, fbr, 9000 mg/l;
sin, smc, 24400 ppm (Sweet 1987).
 
Maximum longterm immission concentration in air for plants,mg/m3 :
75  VDI 2306
 
Maximum longterm immission concentration in air for plants,ppm :
20  VDI 2306
 
Effects on microorganisms :
Toxicity threshold (cell multiplication inhibition test):
bacteria (Pseudomonas putida): 650 mg/l
(Bringmann & Kühn 1980a)
 
Effects on wastewater treatment :
1000 mg/l was not substrate limiting to anaerobic processes
(Sax 1986).
 
LOEC values to algae, mg/l :
15  rpd,schr, Scenedesmus quadricauda,
  Bringmann & Kuhn 1980a
 
NOEC values to algae, mg/l :
2000  rpd,schr, Selenastrum capricornutum,
  Slooff et al. 1983
 
LC50 values to crustaceans, mg/l :
720  srv,act,48 hr, Daphnia magna, Canton &
  Adema 1978
260  srv,act,48 hr, Daphnia pulex, Canton &
  Adema 1978
160  srv,act,48 hr, Daphnia cucullata,
  Canton & Adema 1978
  --
1600  48hr, Asellus aquaticus, Slooff 1983
750  48hr, Gammarus pulex, Slooff 1983
 
LC50 values to fishes, mg/l :
125  srv,act, 48 hr, Ozyrias latipes,
  Slooff et al. 1983
  --
230  96 hr, Pimephales promelas, Brooke et al. 1984
 
EC50 values to fishes, mg/l :
220  96 hr, mbt, Pimephales promelas, Brooke et al. 1984
 
Other information of water organisms :
LC50, 48hr, 760 mg/l, Tubificidae
LC50, 48hr, 750 mg/l, Chironomus gr. thummi
LC50, 48hr, 1200 mg/l, Erpobdella octoculata
LC50, 48hr, 1100 mg/l, Lymnaea stagnalis
LC50, 48hr, 3020 mg/l, Dugesia cf. lugubris
LC50, 48hr, 1350 mg/l, Hydra oligactis
LC50, 48hr, 600 mg/l, Corixa punctata
LC50, 48hr, 600 mg/l, Ischura elegans
LC50, 48hr, 130 mg/l, Nemoura cinerea
LC50, 48hr, 480 mg/l, Cloeon dipterum
(Slooff 1983)

Toxicity threshold (cell multiplication inhibition test):
green algae (Scenedesmus quadricauda): 15 mg/l
protozoa (Entosiphon sulcatum): 202 mg/l
(Bringmann & Kühn 1980a)
 
Other information :
Air pollution: low (Sax 1986).

References
3001Ambrose, D. et al. 1981. J. Chem. Thermodyn. 13: 795 - 802.
3019Bocek, K. 1976. Experientia Suppl 23: 231 - 240.
188Bringmann, G. & Kühn, R. 1980a. Comparison of the toxicity thresholds of water pollutants to bacteria, algae and protozoa in the cell multiplication inhibition test. Water Res. 14: 231 - 241.
3295Brooke, L. T. et al. 1984. Acute toxicities of organic chemicals to fathead minnows (Pimephales promelas); Vol 1. Center for Lake Superior Environmental Studies University of Wisconsin-Superior, Superior, Wisconsin, U.S.A.
3002Campbell, I. M. and Parkinson, P. E. 1978. Chem. Phys. Lett. 53: 385 - 389.
241Canton, J.H. & Adema, D.M.M. 1978. Reproducibility of short-term and reproduction toxicity experiments with Daphnia magna and comparisons of the sensitivity of Daphnia magna with Daphnia pulex and Daphnia cucullata in short-term experiments. Hydrobiologia 59(2): 135 - 140.
2622Hansch, C. & Leo, A. 1979. Substituent Constant for Correlation Analysis in Chemistry and Biology. Wiley: New York.
1673Hellman, T.M. & Small, F.H. 1974. Characterization of the odour properties of 101 petrochemicals using sensory methods. J. Air Pollut. Control Assoc. 24: 979 - 982.
2992Howard, P. H. et al. 1990. Handbook of Environmental Fate and Exposure Data for Organic Chemicals. Vol. II: Solvents. Lewis Publishers, Inc. Chelsea. pp 546.
3120Howard, P.H., Boethling, R.S., Jarvis, W.F., Meylan, W.M. & Michalenko, E.M., Handbook of Environmental Degradation Rates, 1991. Lewis Publicers, Inc., Chelsea, Michigan, U.S.A., pp. 725.
2960Lyman, W. J. et al. 1982. Handbook of Chemical Property Estimation Methods. Environmental behavior of organic compounds. McGraw-Hill New York.
3069Mabey, W & Mill, T. 1978. J. Phys. Chem. Ref. Data 7: 383 - 415.
3104Sangster, J. 1989. Octanol-water partition coefficients of simple organic compounds. J. Phys. Chem. Ref. Data, Vol 18, No. 3: 1111 - 1229.
2147Sax, I. 1986. Hazardous chemicals information annual No. 1. Van Nostrand Reinhold Information Services, New York. 766 s.
1304Slooff, W., Canton, J.H. & Hermens, J.L.M. 1983. Comparison of the susceptibility of 22 freshwater species to 15 chemical compounds. I (sub)acute toxicity tests. - Aquatic toxicology 4: 113 - 128.
1302Slooff, W. 1983. Benthic macroinvertebrates and water quality assessment: some toxicological considerations. Aquat. Toxicol. 4: 73.
2101Sweet, D. 1987. Registry of toxic effects of chemical substances 1985 - 1986 edition. U.S. Department of health and human services.
1599VDI 2306. VDI-Kommission Reinhaltung der Luft. Maximale Immissions-Konzentrationen (MIK). Organische Verbildungen.
3003Wasik, S. P. et al. 1981. Octanol/water partition coefficients and aqueous solubilities of organic compounds. p66 NBS TR81-2406.

 
 
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