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18.5.2024

Data bank of environmental properties of chemicals


Chemical
Epsilon-caprolactam
CAS-number :
105-60-2
 
Synonyms :
1,6-hexolactam
2-azacycloheptanone
2H-azepin-2-one, hexahydro
6-caprolactam
Caprolactam
 
Sumformula of the chemical :
C6H11NO
EINECS-number :
2033132
 
Uses :
Production of nylon fibres.
 
State and appearance :
Solid.
 
Molecular weight :
113.2
 
Spesicif gravity (water=1) :
1.01  Roth 1991
 
Vapor pressure, mmHg :
0.0019  at 25 °C, Jones 1960
0.0011  at 20 °C, IUCLID 1995
 
Water solubility, mg/l :
2000  >2000, MITI 1992
  --
5250000  at 25 °C, Fischer & Crescentini 1982
820000  Roth 1991
4560000  IUCLID 1995
 
Melting point, °C :
68  68-70, MITI 1992
 
Boiling point, °C :
139  MITI 1992
  --
139  at 12 mmHg
 
Log octanol/water coefficient, log Pow :
-0.19  Hansch & Leo 1985
0.12  IUCLID 1995
0.664  LOGKOW 1994
 
Log soil organic carbon coefficient, log Koc :
1.33  ASTER 1994
 
Henry's law constant, Pa x m3/mol :
0.148  ASTER 1994
 
Volatilization :
The relatively low vapor pressure and complete water solubility
of caprolactam suggest that volatilization from water and soil
surfaces would not be an important fate process for this
compound (Howard 1989).
 
Adsorption/desorption :
A soil adsorption coefficient (Koc) of 0.8 was estimated for
caprolactam based on the log Kow (Lucas 1984).

The Koc value and the complete water solubility of
caprolactamsuggest that adsorption to suspended solids and
sediments in water would be insignificant and that this
compound would be extremely mobile in soil (Swann 1983).
 
Mobility :
Predicted environmental distribution:
Mackay level I
4.92 % air
95.06 % surface water
0.01 % soil
0.01 % sediment

PED(ASTER)
4.87 % air
95.12 % surface water
0.01 % soil
0.01 % sediment
(ASTER 1994)
 
Photochemical degradation in air :
The half-life for caprolactum vapor reacting with
photochemically generated hydroxyl radicals in the atmosphere
has been estimated to be 4.9 hours based on an estimated
reaction rate constant of 7.9x10-11 cm3/mol-sec at 25 °C and an
average ambient hydroxyl radical concentration of 5.0x10+5
mol/cm3 (Atkinson 1987).
 
Half-life in water, days :
190  ASTER 1994
 
Total degradation in soil :
The degradation rate of caprolactam in soil is expectedto be at
least as fast if not faster than in water (Howard 1989).
 
Total degradation in water :
Biodegradation:
82% by BOD
period: 14d
substance: 100 mg/l
sludge: 30 mg/l
(MITI 1992)

Degradation in the aquatic environment, half-life 5 - 14 days
(Howard 1989).

Caprolactam is biodegradable in water. 
Based on results of a
study using amended and unamended natural water samples, the
half-life of caprolactam in water is expected to range between
5 and 14 days (Fortman & Rosenberg 1984).
 
Ready biodegradability :
Confirmed to be biodegradable (Anon. 1987).
 
Other information of bioaccumulation :
A bioconcentration factor (BCF) of <1 is estimated for
caprolactam based on measured log Kow (Lyman et al. 1982).

The BCF valu and the complete water solubility of caprolactam
suggest that this compound will not bioaccumulate significantly
in aquatic organisms (Frischer & Crescentini 1982).
 
LD50 values to mammals in oral exposure, mg/kg :
1210  orl-rat, RTECS 1994
 
LC50 values to mammals in inhalation exposure, mg/m3 :
300  2hr, inh-rat, RTECS 1994
 
LC50 values to algae, mg/l :
6700  QSARTOX 1994
 
EC50 values to algae, mg/l :
130  72hr, Scenedesmus subspicatus, IUCLID 1994
 
LC50 values to crustaceans, mg/l :
7400  Daphnia, QSARTOX 1994
  --
100  100 - 1000, Daphnia,
1000  GESAMP
 
EC50 values to crustaceans, mg/l :
500  48hr, Daphnia magna, IUCLID 1995
 
LC50 values to fishes, mg/l :
500  500 - 1000, 96hr, Salmo gairneri
1000  IUCLID 1995
  --
100  100 - 1000, 96hr, fish
1000  GESAMP
  --
6400  QSARTOX 1994

References
1848Anon. 1987a. The list of the existing chemical substances tested on biodegradability by microorganisms or bioaccumulation in fish body by Chemicals Inspection & Testing Institute. Ministry of International Trade and Industry, MITI. Japan.
3109ASTER 1993 -. Assessment Tool for the Evaluation of Risk (including the AQUIRE database). USEPA, Environmental Research Laboratory.
3158Atkinson, R. 1987. Inter. J. Chem. Kinet. 19:799-828.
3258Fischer, W. B. & Crescentini, L. 1982. Kirk-Othmer Encycl. Chem. Tech. 18: 425 - 436.
3259Fortman, L. & Rosenberg, A. 1984. Chemosphere 13: 53 - 65.
2958Hansch, C and Leo, A. J. 1985. Medchem Project Issue No 26. Claremont C.A. Pomona College.
3047Howard, P. H. 1989. Handbook of Environmental Fate and Exposure Data for Organic Chemicals. Vol. I: Large Production and Priority Pollutants. Lewis Publishers, Inc. Chelsea. pp 574.
3253IUCLID 1995 -. International Uniform Chemical Information Database. European Commission. European Chemicals Bureau. Existing Chemicals. Ispra, Italy.
3260Jones, A. H. 1960. J. Chem. Eng. Data 5: 196 - 200.
3182LOG KOW 1994. Octanol-water partition coefficient program. Syracure Research Corporation. Chemical Hazard Assessment Division. Environmental Chemistry Center.
3261Lucas, S. V. 1984. GC/MS analysis of organics in drinking water concentrates and advanced waste treatment concentrates Vol 2 p 145. USEPA-600/1-84-020B NTIS PB85-128239.
2960Lyman, W. J. et al. 1982. Handbook of Chemical Property Estimation Methods. Environmental behavior of organic compounds. McGraw-Hill New York.
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.
3255QSARTOX 1994 -. QSARTOX-programme. Version 1.0. J.R. Niemelä. Danish Environmental Protection Agency.
3112Roth L. 1991. Wassergefährdende Stoffe. Ecomed Verlag Mbh.
3115RTECS Database 1992 -. Registry of Toxic Effects of Chemical Substances. National Institute of Occupational Safety and Health, USA. TOMES Plus CD-ROM.
2988Swann, R. L. et al. 1984. Res. Rev. 85: 17 - 28.

 
 
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