tert-Butanol
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tert-Butanol
structure -
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CAS No:
75-65-0
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Chemical Name:
tert-Butanol
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Synonyms:
2-Propanol,2-methyl-;tert-Butyl alcohol;2-Methyl-2-propanol;tert-Butanol;1,1-Dimethylethanol;Trimethylcarbinol;Trimethylmethanol;t-Butanol;t-Butanol;2-Hydroxy-2-methylpropane;Tert-Bu-OH
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CAS No:
Description
tert-butyl alcohol, (CH3)3COH, also known as tert-Butanol, is a white crystalline solid or colorless liquid (above 77 °F) with a camphor-like odor (IPCS, 1987a; NIOSH, 2005). It is soluble in water and miscible with alcohol, ether, and other organic solvents (IPCS, 1987a). It is highly flammable and easily ignited by heat, sparks, or flames; vapors may form explosive mixtures with air. Fire and explosion may result from contact with oxidizing agents, strong mineral acids, or strong hydrochloric
tert-Butyl alcohol (TBA), also called tert-butanol, is the simplest tertiary alcohol, with a formula of (CH3)3COH (sometimes represented as t-BuOH). It is one of the four isomers of butanol. tert-Butyl alcohol is a colorless solid, which melts near room temperature and has a camphor-like odor. It is very soluble in water and miscible with ethanol and diethyl ether.
Characteristics
20.2
0.3
APHA: ≤20 Liquid After Melting
0.8 g/cm3
25.7 °C
82.41 °C
95 °F
1.386-1.388
H2O: soluble
2-8°C
31 mm Hg ( 20 °C)
2.55 (vs air)
Oral-Rat LD50: 3500 mg/kg; Intravenous-Mouse LD50: 1538 mg/kg
It is flammable in case of open flame, high temperature and oxidant; burning produces irritating smoke; spontaneously combusts in contact with potassium-sodium alloy
2.3-8.0%(V)
Camphor-like odor
Safety Information
II
3
UN 1120 3/PG 3
1
11-20-39/23/24/25-23/24/25-36/37
9-16-45-36/37-7-46-26
EO1925000
Xn,F,T
The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids
Explosive when mixed with air
Stable. Very flammable. Incompatible with strong oxidizing agents, copper, copper alloys, alkali metals, aluminium.
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P370+P378, P403+P233, P403+P235, P405, P501
H225
UN 1120
P210; P261; P305 + P351 + P338; P370 + P378; P403 + P235
tert-Butanol Use and Manufacturing
The preparation method can use isobutylene sulfuric acid hydration method, esterify isobutylene with 50% to 65% sulfuric acid, and then hydrolyze at 10-30°C to obtain tert-butanol; it can also use acidic ion exchange resin as a catalyst at 110°C, 25°C At atmospheric pressure (1atm = 101325Pa), isobutylene is directly hydrated to obtain tert-butanol. Sodium tert-butoxide is prepared by reacting tert-butanol with sodium metal.
Used as an organic solvent, and also as a raw material for the preparation of medicines and spices; used as a solvent for molecular weight determination and chromatographic analysis reagent; tert-butanol is the insecticide Bubuzizione, hydrazine, tebufenozide, etc., and the acaricide pyridaben , An important intermediate of the herbicide sec-butaline, sodium tert-butoxide is used as an important sodium alkoxide application in the pesticide industry, mainly used in the cyclization reaction of pyrethroids. It often replaces n-butanol as a solvent for paint and medicine. Used as an internal combustion engine fuel additive (to prevent carburetor icing) and antiknock agent. As an intermediate in organic synthesis and alkylation raw material for the production of tert-butyl compounds, it can be used to produce methyl methacrylate, tert-butylphenol, tert-butylamine, etc., for the synthesis of medicines and perfumes. Dehydration of tert-butanol can produce isobutylene with a purity of 99.0-99.9%. Used as organic solvents and chemical raw materials, as well as raw materials for the preparation of medicines and spices
Computed Properties
Molecular Weight:74.12
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:74.073164938
Monoisotopic Mass:74.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:5
Complexity:25.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Price Analysis
Drug Function and Efficacy
Solvent and denaturant; used to make ethanol unfit for consumption in pharmaceutical formulations.
Registered Holders
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Hangzhou Lexsyn Pharmaceutical Co., Ltd.
Active
China
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ARCO CHEMICAL CO
Inactive
United States
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