| Chemical |
tert-Butanol |
| CAS-number : |
75-65-0 |
| |
| Synonyms : |
| 2-methyl-2-propanol |
| NCL-C55 367 |
| t-butanol |
| t. butanol |
| t.butyl hydroxide |
| TBA |
| tert butyl alcohol |
| tert-butylalcohol |
| tertiary butanol |
| TMA |
| trimethyl carbinol |
| trimethyl methanol |
| |
| Sumformula of the chemical : |
| C4H10O |
| EINECS-number : |
| 2008897 |
| |
| Uses : |
The primary use of tert-butanol is as a solvent.
It is also
used as a dehydrating agent, in the extraction of drugs, in the
manufacture of perfumes (particularly in the preparation of
artificial musk), in the recrystallization of chemicals, and as a
chemical intermediate (e.g., in the manufacture of tert-butyl
chloride and in the manufacture of tert-butyl phenol).
It is an
approved denaturant for ethyl alcohol and for several other
alcohols.
Catalytic dehydration of tert-butanol is carried out
to obtain isobutylene, and it has been patented for use as
a gasoline antiknock agent.
Moreover, it is used in the purification of polyolefins, for
the separation of solids from coal liquids and as blowing agent
for the manufacture of imide group-containing foams from
copolymers of methacrylonitrile and methacrylic acid (Patty
1963, Monich 1968, Sherman 1978).
As blending agent up to 7 % to increase the octane rating of
unleaded gasoline (Verschueren 1983).
|
| |
| State and appearance : |
Solid (crystals).
|
| |
| Odor : |
Camphor-like.
Odour threshold approximately 144.7 mg/m3 (47 ppm).
|
| |
| Molecular weight : |
74.12 |
| |
| Spesicif gravity (water=1) : |
| 0.788 |
at 20/4 °C |
| |
| Vapor density (air=1) : |
| 2.55 |
|
| |
| Density, kg/m3 : |
| 779 |
779 - 782 at 26 °C |
| 782 |
|
| |
| Conversion factor, 1 ppm in air=_mg/m3 : |
| 3.078 |
mg/m3 |
| |
| Conversion factor, 1 mg/m3 in air=_ppm : |
| 0.325 |
ppm |
| |
| Vapor pressure, mmHg : |
| 31 |
at 20 °C |
| 42 |
at 25 °C |
| 56 |
at 30 °C |
| |
| Melting point, °C : |
| 25 |
|
| 25.6 |
MITI 1992 |
| |
| Boiling point, °C : |
| 81.5 |
initial,min. |
| 82.5 |
MITI 1992 |
| |
| Log octanol/water coefficient, log Pow : |
| 0.37 |
|
| 0.35 |
Sangster 1989 |
| |
| Photochemical degradation in air : |
Photooxidation half-life in air:
2.45d - 24.5d,
based upon measured photooxidation half-life in air via
reaction with -OH radicals (Howard 1991).
|
| |
| Photochemical degradation in water : |
Photooxidation half-life in water:
771d - 64500yr,
based upon measured reaction with -OH radicals in water
(Howard 1991).
|
| |
| Chemical oxygen demand, g O2/g : |
| 2.49 |
5 days, Bridie et al. 1979 |
| |
| Biochemical oxygen demand, g O2/g : |
| 0.02 |
5 days, Bridie et al. 1979 |
| |
| Half-life in air, days : |
| 2.45 |
59hr - 590hr, |
| 24.5 |
based upon measured photooxidation half-life, |
| |
Howard 1991 |
| |
| Half-life in soil, days : |
| 15 |
15d - 200d, |
| 200 |
based upon soil microcosm studies, |
| |
Howard 1991 |
| |
| Half-life in water, days : |
| 28 |
4w - 6mo, |
| 180 |
in surface water, scientific judgement based upon |
| |
unacclimated aqueous aerobic biodegradation |
| |
half-life, |
| 56 |
8w - 12mo, |
| 360 |
in ground water, scientific judgement based upon |
| |
unacclimated aqueous aerobic biodegradation |
| |
half-lives, |
| |
Howard 1991 |
| |
| Aerobic degradation in water : |
Aerobic half-life:
4w - 6mo,
scientific judgement based upon river die-away studies
(Howard 1991)
|
| |
| Anaerobic degradation in water : |
Anaerobic half-life:
100d - 500d,
based upon observed degeneration rates in microcosm studies
simulating anaerobic aquifers (Howard 1991).
|
| |
| Total degradation in water : |
Biodegradation:
2.5% by BOD
period: 28d
substance: 100 mg/l
sludge: 100 mg/l
(MITI 1992)
|
| |
| Ready biodegradability : |
Confirmed to be non-biodegradable (Anon. 1987). |
| |
| Other information of degradation : |
In the short-term tests, there was little degradation but over a
longer period of about one month, most of the material was
fully degraded.
Therefore, tert-butanol is inherently rather
then readily biodegradable (WHO 1987).
|
| |
| Metabolism in mammals : |
In animals, tert-butanol is absorbed through the lungs and
gastrointestinal tract; no information is available on dermal
absorption. tert-butanol is not a substrate for alcohol
dehydrogenase and is slowly metabolized by mammals.
Up to 24 %
of the dose is eliminated in the urine as the glucoronide, and up
to 10 % of the dose can be excreted in the breath and urine as
acetone or carbon dioxide (WHO 1987).
|
| |
| Bioconcentration factor, fishes : |
| 0.5 |
< 0.5, 6w, Cyprinus carpio, conc 6 mg/l, |
| 5 |
< 5, 6w, Cyprinus carpio, conc 0.6 mg/l, |
| |
| Other information of bioaccumulation : |
tert-butanol does not bioaccumulate (Chiou et al. 1977).
Confirmed to be non-accumulative or low accumulative (Anon.
1987).
|
| |
| LD50 values to mammals in oral exposure, mg/kg : |
| 3500 |
orl-rat, US DHEW 1979 |
| 3600 |
orl-rbt, Münch 1972 |
| 3500 |
orl-rat, Patty 1967 |
| |
| LD50 values to mammals in non-oral exposure , mg/kg : |
| 1500 |
ivn-mus,Patty 1982 |
| 900 |
ipr-mus,US DHEW 1978 |
| |
| Effects on reproduction of mammals : |
No relevant data on reproduction, embryotoxicity, or
teratogenicity have yet been published.
In contrast to ethanol,
tert-butanol at concentrations of 1000 - 4000 mg/l did not
reduce the in vitro fertilizing capacity of mice spermatoa
(Anderson et al. 1982, WHO 1987).
|
| |
| Other information of mammals : |
The primary acute effects observed in animals are signs of
alcoholic intoxication.
Its potency for intoxication is
approximately 1.5 times that of ethanol.
Animal data regarding
skin and eye irritation are not available. tert-butanol
produces physical dependence in animals and post-natal effects in
offspring exposed in utero.
Data on pathological effects of
repeated exposure of animals are not available (WHO 1987).
|
| |
| Health effects : |
In man, tert-butanol is a mild irritant to the skin.
There have
not been any reports of poisonings or any other effects in man
(WHO 1987).
|
| |
| Carcinogenicity : |
No adequate data are available on carcinogenicity,
teratogenicity or effects on reproduction (WHO 1987).
|
| |
| Mutagenicity : |
Tert-butanol has been found not to be mutagenic (WHO 1987).
|
| |
| Effects on plants : |
An EC50 of 90800 mg/l was reported for germination in cucumber
(Cucumis sativus) by Smith & Siegel (1975).
|
| |
| Effects on microorganisms : |
One study has indicated that Nitrosomonas (nitrifying
bacterium) shows a high tolerance for tert-butanol; tert-butanol
inhibits nitrifying activity at 39 400 mg/l (Blok 1981).
There was no inhibition of degradation by methane culture on
acetate substrate at 7400 mg tert-butanol /l (Chou et al. 1978). |
| |
| EC50 values to algae, mg/l : |
| 24200 |
Chlorella pyrenoidosa,pht,Jones 1971 |
| |
| EC50 values to crustaceans, mg/l : |
| 7800 |
Artemia salina,excystment |
| |
Smith & siegel 1975 |
| |
| LC50 values to fishes, mg/l : |
| 3000 |
3000-6000,24hr,Semotitus atromaculutus |
| 6000 |
Gillette et al.1952 |
| |
-- |
| 5000 |
>5000,24hr,Carassius auratus |
| |
Bridie et al.1979 |
| |
-- |
| 5500 |
48hr, Oryzias latipes, MITI 1992 |
| |
-- |
| 6410 |
96 hr, Pimephales promelas, Geiger et al. 1986 |
| |
| EC50 values to fishes, mg/l : |
| 4430 |
96 hr, mbt, Pimephales promelas, Geiger et al. 1986 |
| |
| Other information of water organisms : |
Algae: Chlorella pyrenoidosa: toxic: 24200 mg/l (Jones 1971). |
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| 1848 | Anon. 1987a.
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Ministry
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| 1660 | Blok, J. 1981.
A simple toxicity test using nitrifying
bacteria.
H2O 14(11): 242 - 245. |
| 182 | Bridie, A.L. et al. 1979.
The acute toxicity of some
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Water Res. 13: 623. |
| 1680 | Bridie, A.L., Wolff, C.J.M. & Winter, M. 1979.
BOD and COD of
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|
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|
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|
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| 1641 | WHO 1987.
Butanols.
Four isomers: 1-butanol, 2-butanol,
tert-butanol, isobutanol.
Environmental Health Criteria 65. |
