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


8.12.2025

Data bank of environmental properties of chemicals


Chemical
2,6-toluenediisocyanate
CAS-number :
91-08-7
 
Synonyms :
2,6-diisocyanato-1-methylbenzene
2,6-diisocyanatotoluene
2,6-TDI
2,6-tolueenidi-isosyanaatti
2-methyl-meta-phenyleneisocyanate
isocyanic acid,2-methyl-meta-phenylene ester
tolueenidi-isosyanaatti.
toluene diisocyanate
toluene-2,6-diisocyanate
 
Sumformula of the chemical :
C9H6N2O2
EINECS-number :
2020390
 
State and appearance :
TDI (mixture) is a clear-to-yellow flammable, volatile liquid 
with a sweet, pungent odor.
 
Odor :
USSR: human odour perception; non perception: 0.15 mg/m3;
                              perception:     0.020 mg/m3;
      human reflex response; no response: 0.050 mg/m3;
                             adverse response: 0.1 mg/m3;
      animal chronic exposure: no effect: 0.02 mg/m3;
                               adverse effect: 0.2 mg/m3
(Verschueren 1983).
 
Molecular weight :
174.17
 
Conversion factor, 1 ppm in air=_mg/m3 :
7.24  mg/m3
 
Conversion factor, 1 mg/m3 in air=_ppm :
0.14  ppm
 
Boiling point, °C :
129  129 - 133 °C, at 18 °C, HSDB 1999
133 
 
Volatilization :
The vapor pressure of commercial toluene diisocyanate (80% 2,4- 
and 20% 2,6-isomer) is 0.02 mmHg at 20 °C, suggesting that 
spilled TDI will not readly volatilize from soil and surfaces. 

TDI reacts with water; therefore volatilization from water is 
not expected to be important (HSDB 1999).
 
Photochemical degradation in air :
Photooxidation half-life in air:
3.21hr - 0.321hr, scientific judgement based upon estimated
rate constant for reaction with hydroxyl radical in air
(Howard 1991).

The half-life for toluene diisocyanate in the atmosphere is 3.3 
hours by reaction with photochemically producted hydroxyl 
radicals (HSDB 1999).
 
Hydrolysis in water :
First-order hydrolysis half-life:
12hr, scientific judgement based upon observed disappearance of 
toluene diisocyanate in a model river (Howard 1991).
 
Half-life in air, days :
0.13  3.21hr - 0.32hr,
0.013  scientific judgement based upon estimated photooxidation halflife in air.
  Howard 1991
 
Half-life in soil, days :
24hr - 12hr,
0.5  scientific judgement based upon estimated hydrolysis half-life in water.
  Howard 1991
 
Half-life in water, days :
24hr - 12hr,
0.5  in surface water: scientific judgement based upon estimated hydrolysis half-life in water,
24hr - 12hr,
0.5  in ground water: scientific judgement based upon estimated hydrolysis half-life in water.
  Howard 1991
 
Aerobic degradation in water :
Aerobic half-life:
4w - 7d, scientific judgement (Howard 1991).
 
Anaerobic degradation in water :
Anaerobic half-life:
16w - 28d, scientific judgement based upon estimated 
unacclimated aerobic aqueous biodegradation half-life 
(Howard 1991).
 
Other information of degradation :
When low concentrations of TDI (2,4- and 2,6-isomers) are
released into model river or seaway systems, it is hydrolyzed
with in a day (HSDB 1999).

Toluene diisocyanates are expected to be hydrolyzed much more 
rapidly than they are attacked by microorganisms (HSDB 1999).
 
LC50 values to mammals in inhalation exposure, mg/m3 :
91  4 hr, ihl-mus, Lewis & Sweet 1984
 
TCLo values to mammals in inhalation exposure, ppm :
0.08  ihl-hmn, Lewis & Sweet 1984
  --
0.05  ihl-hmn, sense organs and special
  senses
  lungs, thorax or respiration
 
Mutagenicity :
Mutation data:
microsomal assay;
Salmonella typhimurium, 0.010 mg/plate (Sweet 1987).
 
LD50 values to birds in oral exposure, mg/kg :
100  orl-bdw, Sweet 1987
  --
100  orl-Agelaius phoeniceus
100  =,>100, orl-Sturnus vulgaris
  Schafer et al. 1983
 
Maximum longterm immission concentration in air for plants,mg/m3 :
0.007  VDI 2306
 
Maximum longterm immission concentration in air for plants,ppm :
0.001  VDI 2306
 
LC50 values to fishes, mg/l :
164  96 hr, Pimephales promelas, Curtis et
  al. 1979
 
Other information of water organisms :
Grass shrimp (Palaemonetes pugio): no significant mortality
below 508 mg/l (Verschueren 1987).

References
300Curtis, M.W., Copeland, T.L. & Ward, C.H. 1979. Acute toxicity of 12 industrial chemicals to freshwater and saltwater organisms. Water Res. 13: 137 - 141.
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.
3114HSDB Database 1992 -. Hazardous Substances Data Bank. US. National Library of Medicine. TOMES Plus CD-ROM.
1589Lewis, R.J. & Sweet, D.V. 1984. Registry of toxic effects of chemical substances. National Institute for Occupational Safety and Health. No. 83-107-4.
1743Schafer , E.W.Jr., Bowles, W.A.Jr., Hurlbut, J. 1983. The acute oral toxicity, repellency and hazard potential of 993 chemicals to one or more species of wild and domestic birds. Arch. Environ. Contam. Toxicol. 12: 355 - 382.
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.
1468Verschueren, K. 1983. Handbook of environmental data of organic chemicals. Van Nostrand Reinhold Co. Inc., New York. 1310 s.

 
 
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