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


28.3.2024

Data bank of environmental properties of chemicals


Chemical
Isophorone
CAS-number :
78-59-1
 
Synonyms :
1,5,5-Trimethyl-1-cyclohexen-3-one
iso-oktafenoni
Isoforoni
 
Sumformula of the chemical :
C9H14O
EINECS-number :
2011260
 
Uses :
Solvent; intermediate (?).
 
Odor :
Quality: sharp
Hedonic tone: unpleasant to pleasant
Threshold odour concentration
absolute: 0.20 ppm
50 % recognition: 0.54 ppm
100 % recognition: 0.54 ppm
Odour index 100 % recognition: 2 444
(Hellman & Small 1974)
 
Molecular weight :
138
 
Water solubility, mg/l :
12000  (20°C), MITI 1992
 
Melting point, °C :
-8.1  MITI 1992
 
Boiling point, °C :
215.2  MITI 1992
 
Log octanol/water coefficient, log Pow :
1.67  Anon 1988
 
Henry's law constant, Pa x m3/mol :
4.8  Anon 1988
 
Mobility :
Equilibrium distribution:
        mass %
air     65.92
water   33.83
solid    0.25
(Anon 1988)
 
Photochemical degradation in air :
Photooxidation half-life in air:
0.411hr - 3.13hr,
scientific judgement based upon estimated rate constants for 
reaction with hydroxyl radical in air (Howard 1991).
 
Half-life in air, days :
0.02  0.411hr - 3.13hr,
0.13  scientific judgement based upon estimated
  photooxidation half-life in air,
  Howard 1991
 
Half-life in soil, days :
7d - 4w,
28  scientific judgement based upon estimated
  unacclimated aqueous aerobic biodegradation
  half-life,
  Howard 1991
 
Half-life in water, days :
7d - 4w,
28  in surface water, scientific judgement based upon
  estimated unacclimated aqueous aerobic
  biodegradation half-life:
14  in ground water, scientific judgement based upon
  estimated unacclimated aqueous aerobic
  biodegradation half-life,
  Howard 1991
56 
 
Aerobic degradation in water :
Aerobic half-life:
7d - 4w,
scientific judgement based upon estimated aqueous 
aerobic biodegradation screening test data (Howard 1991).
 
Anaerobic degradation in water :
Anaerobic half-life:
28d - 16w,
scientific judgement based upon estimated unacclimated aqueous 
aerobic biodegradation half-life (Howard 1991).
 
Total degradation in water :
Biodegradation:
1.5% by BOD
period: 14d
substance: 100mg/l
sludge: 30 mg/l
(MITI 1992)
 
Bioconcentration factor, fishes :
1.1  1.1 - 1.8, 6w, Cyprinus carpio, conc 0.5 mg/l,
1.8 
10  < 10, 6w, Cyprinus carpio, conc 0.05 mg/l,
 
Effects on wastewater treatment :
Removal/secondary treatment:
98%,
removal percentage based upon data from a continuous activated 
sludge biological treatment simulator (Howard 1991).
 
LC50 values to crustaceans, mg/l :
120  48hr, Daphnia magna, LeBlanc 1980
 
LC50 values to fishes, mg/l :
145  145 - 255, 96hr, grw, juv.
255  Pimephales promelas
  Cairns & Nebeker 1982
  --
220  96hr, Lepomis macrochirus
  Buccafusco et al. 1981
  --
340  48hr, Oryzias latipes, MITI 1992
  --
228  96 hr, Pimephales promelas, Geiger et al. 1990
 
EC50 values to fishes, mg/l :
217  96 hr, mbt, Pimephales promelas, Geiger et al. 1990
 
LOEC values to fishes, mg/l :
144  grw, juv., Cyprinodon variegatus
  Ward & Parrish 1980
  --
14  grw, juv., Pimephales promelas
  Cairns & Nebeker 1982
 
Other information of water organisms :
EC50 (24hr), 420 mg/l, rpd, Tetrahymena pyriformis (Yoshioka et
al. 1985).

References
2357Anon 1988. Concentrations of industrial organic chemicals measured in the environment: The influence of physico - chemical properties, tonnage and use pattern. Technical report no 29. European chemical industry ecology & toxicology centre, ECETOC. pp. 105.
207Buccafusco, R.J., Ells, S.J. & LeBlanc, G.A. 1981. Acute toxicity of priority pollutants to bluegill (Lepomis macrochirus). Bull. Environ. Contam. Toxicol. 26: 446 - 452.
226Cairns, M.A. & Nebecker, A.V. 1982. Toxicity of acenaphthene and isophorone to early life stages of fathead minnows. Arch. Environ. Contam. Toxicol. 11: 703 - 707.
3297Geiger, D. L. et al. 1990. Acute toxicities of organic chemicals to fathead minnows (Pimephales promelas) Vol 5. Center for Lake Superior Environmental Studies, University of Winsconsin-Superior, Superior, Winconsin, U.S.A. 332.
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.
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.
798LeBlanc, G.A. 1980. Acute toxicity of priority pollutants to water flea (Daphnia magna). Bull. Environm. Contam. Toxicol. 24: 684 - 691.
3105MITI 1992. Biodegradation and bioaccumulation data of existing chemicals based on the CSCL Japan. Compild under the Safety Division Basic Industries Bureau Ministry of International Trade & Industry, Japan. Edited by Chemicals Inspection & Testing Institute, Japan.
1509Ward, G.S. & Parrish, P.R. 1980. Evaluation of early life stage toxicity tests with embryos and juveniles of sheepshead minnows. In: Aquatic toxicology, ASTM STP 707. Eaton, J.G., Parrish, P.R. & A.C. Hendricks, A.C. (eds.) American Society for Testing and Materials, Philadelphia. pp. 243 - 247.
1766Yoshioka, Y., Ose, Y. & Sato,T. 1985. Testing the toxicity of chemicals with Tetrahymena pyriformis. Sci. Total. Environ. 43:149.

 
 
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