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tert-Butanol

tert-Butanol
tert-Butanol structure
CAS No.
75-65-0
Chemical Name:
tert-Butanol
Synonyms
TBA;tBu-OH;HP-TBA;BUTANOL;arconol;tButanol;t-Butanol;FEMA 2178;N-BUTONOL;NCI-C55367
CBNumber:
CB5206388
Molecular Formula:
C4H10O
Formula Weight:
74.12
MOL File:
75-65-0.mol

tert-Butanol Properties

Melting point:
23-26 °C(lit.)
Boiling point:
83 °C(lit.)
Density 
0.81 g/mL at 25 °C(lit.)
vapor density 
2.55 (vs air)
vapor pressure 
31 mm Hg ( 20 °C)
refractive index 
n20/D 1.399(lit.)
Flash point:
95 °F
storage temp. 
2-8°C
solubility 
water: miscible
pka
19(at 25℃)
form 
Liquid After Melting
color 
APHA: ≤20
Relative polarity
0.389
Odor
Characteristic; camphor-like; pungent.
PH Range
7
Odor Threshold
4.5ppm
Relative density, gas (air=1)
2.56
Viscosity
3.35 mPa @ 30°C
Evaporation Rate
1.05
explosive limit
2.3-8.0%(V)
Water Solubility 
soluble
λmax
λ: 215 nm Amax: 1.00
λ: 230 nm Amax: 0.50
λ: 250 nm Amax: 0.20
λ: 300-350 nm Amax: 0.01
JECFA Number
85
Merck 
14,1542
BRN 
906698
Henry's Law Constant
1.22 at 25 °C (static headspace-GC, Merk and Riederer, 1997)
Exposure limits
TLV-TWA 300 mg/m3 (100 ppm) (ACGIH); IDLH 8000 ppm.
Stability:
Stable. Very flammable. Incompatible with strong oxidizing agents, copper, copper alloys, alkali metals, aluminium.
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
Indirect Additives used in Food Contact Substances
TERT-BUTYL ALCOHOL
FDA 21 CFR
175.105; 176.200; 177.1650; 178.3910
CAS DataBase Reference
75-65-0(CAS DataBase Reference)
EWG's Food Scores
2
NIST Chemistry Reference
Ethanol, 1,1-dimethyl-(75-65-0)
EPA Substance Registry System
tert-Butanol (75-65-0)
SAFETY
  • Risk and Safety Statements
Symbol(GHS) 
GHS02,GHS07,GHS06,GHS08
Signal word  Danger
Hazard statements  H225-H319-H332-H335-H336-H301-H311-H331-H370-H361
Precautionary statements  P501a-P210-P261-P305+P351+P338-P370+P378-P403+P235-P260-P280-P301+P310-P311-P201-P202-P233-P240-P241+P242+P243-P264-P271-P303+P361+P353-P304+P340+P312-P305+P351+P338+P337+P313-P308+P313-P403+P233-P405-P501
Hazard Codes  Xn,F,T
Risk Statements  11-20-39/23/24/25-23/24/25-36/37
Safety Statements  9-16-45-36/37-7-46-26
RIDADR  UN 1120 3/PG 3
WGK Germany  1
RTECS  EO1925000
Autoignition Temperature 896 °F
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29051410
Toxicity LD50 orally in rats: 3.5 g/kg (Schaffarzick, Brown)
NFPA 704
3
1 0

tert-Butanol price More Price(44)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 19460 tert-Butanol puriss. p.a., ACS reagent, ≥99.7% (GC) 75-65-0 1l $86.9 2019-12-02 Buy
Sigma-Aldrich 19460 tert-Butanol puriss. p.a., ACS reagent, ≥99.7% (GC) 75-65-0 2.5l $188 2019-12-02 Buy
Alfa Aesar 033278 tert-Butyl alcohol, ACS, 99+% 75-65-0 *4x1L $165 2020-06-24 Buy
Alfa Aesar 033278 tert-Butyl alcohol, ACS, 99+% 75-65-0 1L $54 2020-06-24 Buy
Sigma-Aldrich B85927 tert-Butanol TEBOL 75-65-0 500ml $59.9 2019-12-02 Buy

tert-Butanol Chemical Properties,Uses,Production

Chemical Properties

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 acid (NIOSH,1992).
tert-butanol
tert-Butanol has been used for a variety of other purposes, including as a dehydrating agent and solvent. tert-butanol is a polar organic solvent that is used in such large scale applications as the manufacture of flavors, perfumes, and paint removers. It is also utilized as a denaturant for ethyl alcohol.
Tert-butanol is a metabolite of the gasoline additive methyl tert-butyl ether (MTBE).
tert-Butanol also is used to manufacture methyl methacrylate plastics and flotation devices. Cosmetic and food-related uses include the manufacture of flavors, and, because of its camphor-like aroma, it also is used to create artificial musk, fruit essences, and perfume (HSDB, 2007). It is used in coatings on metal and paperboard food containers (Cal/EPA, 1999) and industrial cleaning compounds, and can be used for chemical extraction in pharmaceutical applications (HSDB, 2007).

Physical properties

tert-Butanol is a colorless liquid or crystals with a camphor-like odor. A detection odor threshold concentration of 2,900 mg/m3 (957 ppmv) was experimentally determined by Dravnieks (1974). In a later study, Nagata and Takeuchi (1990) reported an odor threshold concentration 220 ppbv.

Uses

tert-Butyl alcohol is used as a solvent (e.g., for paints, lacquers, and varnishes); as a denaturant for ethanol and several other alcohols; as an octane booster in gasoline; as a dehydrating agent; as a chemical intermediate in the manufacturing of methyl methacrylate; and in the manufacturing of flotation agents, fruit essences, and perfumes.

Uses

tert-Butyl alcohol is used in the production of tert-butyl chloride, tert-butyl phenol, andisobutylene; in the preparation of artificial musk; and in denatured alcohols.

Production Methods

t-Butyl alcohol is produced as a by-product from the isobutane oxidation process for manufacturing propylene oxide. t-Butyl alcohol is also produced by the acidcatalyzed hydration of isobutylene, a process no longer used in the United States.

Definition

Tert-butanol is a tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. It has a role as a human xenobiotic metabolite. It derives from a hydride of an isobutane.

General Description

Colorless oily liquid with a sharp alcohol odor. Floats and mixes with water. Produces irritating vapor. Freezing point is 78°F.

Air & Water Reactions

Highly flammable. Water soluble.

Reactivity Profile

Attacks plastics. [Handling Chemicals Safely 1980. p. 236]. Acetyl bromide reacts violently with alcohols or water [Merck 11th ed. 1989]. Mixtures of alcohols with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. Example: an explosion will occur if dimethylbenzylcarbinol is added to 90% hydrogen peroxide then acidified with concentrated sulfuric acid. Mixtures of ethyl alcohol with concentrated hydrogen peroxide form powerful explosives. Mixtures of hydrogen peroxide and 1-phenylm-2-methyl propyl alcohol tend to explode if acidified with 70% sulfuric acid [Chem. Eng. News 45(43):73 1967; J, Org. Chem. 28:1893 1963]. Alkyl hypochlorites are violently explosive. They are readily obtained by reacting hypochlorous acid and alcohols either in aqueous solution or mixed aqueous-carbon tetrachloride solutions. Chlorine plus alcohols would similarly yield alkyl hypochlorites. They decompose in the cold and explode on exposure to sunlight or heat. Tertiary hypochlorites are less unstable than secondary or primary hypochlorites [NFPA 491 M 1991]. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

Hazard

Irritant to eyes and skin. Flammable, dan- gerous fire risk. Central nervous system impair- ment. Questionable carcinogen.

Health Hazard

tert-Butyl alcohol is more toxic than secbutylalcohol but less toxic than the primaryalcohol. However, its narcotic actionis stronger than that of n-butanol. Inhalationmay cause drowsiness and mild irritationof the skin and eyes. Ingestion may produceheadache, dizziness, and dry skin.
Acute oral LD50 value (rats): 3500 mg/kg.

Chemical Reactivity

Reactivity with Water: No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Safety Profile

Moderately toxic by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Other experimental reproductive effects. Dangerous fire hazard when exposed to heat or flame. Moderately explosive in the form of vapor when exposed to flame. Ignites on contact with potassium-sodum alloys. To fight fire, use alcohol foam, CO2, dry chemical. Incompatible with oxidizing materials, H202. See also n-BUTYL ALCOHOL and ALCOHOLS.

Potential Exposure

Butyl alcohols are used as solvents for paints, lacquers, varnishes, natural and synthetic resins, gums, vegetable oils, dyes, camphor, and alkaloids. They are also used as an intermediate in the manufacture of pharmaceuticals and chemicals; in the manufacture of artificial leather, safety glass; rubber and plastic cements, shellac, raincoats, photographic films, perfumes; and in plastic fabrication.

Carcinogenicity

There were increased incidences of renal tubule adenoma and carcinoma in male rats, transitional epithelia hyperplasia of the kidney in male and female rats, follicular cell adenoma of the thyroid in female mice, and follicular cell hyperplasia of the thyroid and inflammation and hyperplasia of the urinary bladder in male and female mice. In addition, a slight increase in follicular cell adenoma or carcinoma of the thyroid (combined) in male mice may have been related to exposure to t-butyl alcohol. t-Butyl alcohol was inactive on mouse skin as a complete carcinogen or as a tumor promoter.

Source

Detected in a distilled water-soluble fraction of 94 octane unleaded gasoline at a concentration of 3.72 mg/L (Potter, 1996)

Shipping

UN1120 Butanols, Hazard Class: 3; Labels: 3— Flammable liquid. UN1212 Isobutanol or Isobutyl alcohol, Hazard Class: 3; Labels: 3—Flammable liquid

Purification Methods

tert-Butanol is synthesised commercially by the hydration of 2-methylpropene in dilute H2SO4. Dry it with CaO, K2CO3, CaSO4 or MgSO4, filter and fractionally distil it. Dry further by refluxing with, and distilling from, either magnesium activated with iodine, or small amounts of calcium, sodium or potassium, under nitrogen. Passage through a column of type 4A molecular sieve is another effective method of drying; as well as refluxing with tert-butyl phthalate or succinate. (For method see Ethanol.) Other methods include refluxing with excess aluminium tert-butylate, or standing with CaH2, and distilling as needed. Further purification is achieved by fractional crystallisation by partial freezing, taking care to exclude moisture. tert-Butyl alcohol samples containing much water can be dried by adding *benzene, so that the water distils off as a tertiary azeotrope, b 67.3o. Traces of isobutylene have been removed from dry tert-butyl alcohol by bubbling dry pre-purified nitrogen through for several hours at 40-50o before using. It forms azeotropic mixtures with a large number of compounds. It has also been purified by distillation from CaH2 into Linde 4A molecular sieves which had been activated at 350o for 24hours [Jaeger et al. J Am Chem Soc 101 717 1979]. [Beilstein 1 IV 1609.] Rapid purification: Dry tert-butanol over CaH2 (5% w/v), distil and store it over 3A molecular sieves.

Incompatibilities

tert-Butanol is incompatible with strong acids (including mineral acid), including mineral acids; strong oxidizers or caustics, aliphatic amines; isocyanates, alkali metals (i.e., lithium, sodium, potassium, rubidium, cesium, francium).

Waste Disposal

Incineration, or bury absorbed waste in an approved land fill.

tert-Butanol Preparation Products And Raw materials

Raw materials

Preparation Products


tert-Butanol Suppliers

Global( 388)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
ATK CHEMICAL COMPANY LIMITED
+86 21 5161 9050/ 5187 7795
+86 21 5161 9052/ 5187 7796 ivan@atkchemical.com CHINA 24754 60
Hefei TNJ Chemical Industry Co.,Ltd.
86-0551-65418684 18949823763
86-0551-65418684 info@tnjchem.com China 2680 55
Hebei Chishuo Biotechnology Co., Ltd.
13292891350 +86 311 66567340
luna@speedgainpharma.com CHINA 1009 58
career henan chemical co
+86-371-86658258
sales@coreychem.com CHINA 30043 58
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86-21-51086038
86-21-51861608 chemwill_asia@126.com;sales@chemwill.com;chemwill@hotmail.com;chemwill@gmail.com CHINA 23977 58
Hubei Jusheng Technology Co.,Ltd.
86-18871470254
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Jinan Finer Chemical Co., Ltd
+86-531-88989536
+86-531-88989539 sales@finerchem.com CHINA 997 58
QUALITY CONTROL CHEMICALS INC.
(323) 306-3136
(626) 453-0409 orders@qcchemical.com United States 8406 58
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Xiamen AmoyChem Co., Ltd
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View Lastest Price from tert-Butanol manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2020-03-27 tert-Butanol
75-65-0
US $0.00 / Kg/Drum 155KG 99.5% 5000mt Jinan Finer Chemical Co., Ltd
2020-07-03 TBA tert-butyl alcohol
75-65-0
US $1.00 / Kg/Drum 12.4T 85%;99.5%;99.9%;99.99% 1000tons/month Hebei Yanxi Chemical Co., Ltd.
2020-07-07 tert-Butyl alcohol
75-65-0
US $1.00 / KG 1KG 99% 2000 Kilogram/Kilograms per Month Hebei Xibaijie Biotechnology Co., Ltd.

tert-Butanol Spectrum


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