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75-65-0

75-65-0 Structure

75-65-0 Structure
IdentificationMore
[Name]

tert-Butanol
[CAS]

75-65-0
[Synonyms]

1,1-Dimethylethanol
1-BUTANOL
2-Methyl-2-propan0l
2-METHYL-2-PROPANOL
2-METHYLPROPAN-2-OL
AKOS BBS-00004346
ALCOHOL C4
ALCOHOL SOLVENT
ALCOHOL SOLVENT MIXED SOL'N
BUTAN-1-OL
BUTANE-1-OL
BUTANOL
BUTYLALCOHOL
BUTYL ALCOHOL, N
BUTYL ALCOHOL, NORMAL
BUTYL HYDROXIDE
FEMA 2178
HP-TBA
N-BUTANOL
N-BUTYL ALCOHOL
[EINECS(EC#)]

200-751-6
[Molecular Formula]

C4H10O
[MDL Number]

MFCD00004464
[Molecular Weight]

74.12
[MOL File]

75-65-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless liquid after melting
[Melting point ]

23-26 °C (lit.)
[mp ]

23-26 °C(lit.)
[Boiling point ]

83 °C (lit.)
[bp ]

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.)
[Fp ]

95 °F
[storage temp. ]

2-8°C
[solubility ]

water: miscible
[form ]

Liquid After Melting
[pka]

19(at 25℃)
[color ]

APHA: ≤20
[Odor]

Characteristic; camphor-like; pungent.
[Stability:]

Stable. Very flammable. Incompatible with strong oxidizing agents, copper, copper alloys, alkali metals, aluminium.
[PH Range]

7
[Relative polarity]

0.389
[Odor Threshold]

4.5ppm
[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.
[InChIKey]

DKGAVHZHDRPRBM-UHFFFAOYSA-N
[CAS DataBase Reference]

75-65-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanol, 1,1-dimethyl-(75-65-0)
[EPA Substance Registry System]

75-65-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,F,T
[Risk Statements ]

R11:Highly Flammable.
R20:Harmful by inhalation.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S7:Keep container tightly closed .
[RIDADR ]

UN 1120 3/PG 3
[WGK Germany ]

1
[RTECS ]

EO1925000
[Autoignition Temperature]

896 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29051410
[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.
[Hazardous Substances Data]

75-65-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in rats: 3.5 g/kg (Schaffarzick, Brown)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Ethanol-->Benzene-->ISOBUTYLENE-->1,3-BUTADIENE-->SULFATE STANDARD-->Liquefied petroleum ges-->Sodium tert-butoxide
【Preparation Products】

ETHOPERMETHRIN,95%-->(R,R)-(+)-HYDROBENZOIN-->(2-TERT-BUTOXYFORMAMIDO-PYRIDIN-4-YL)METHYL METHANESULFONATE-->5-Bromo-7-azaindole-->(2-BROMO-PYRIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER-->TERT-BUTYL GLYCIDYL ETHER-->4-TERT-BUTYL-2,6-DIMETHYL BENZYL ACETATE-->tert-Butyl peroxybenzoate-->tert-Butyl acetate-->2,4-Dichlorophenoxybutyric acid-->1-tert-Butyl-3,5-dimethylbenzene-->Dibutyl sebacate-->Di-tert-butyl peroxide-->tert-Butyl peroxypivalate-->TERT-BUTYL ISOTHIOCYANATE-->4-ALLYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER-->1-CHLORO-4-ISOCYANOBENZENE-->TERT-BUTYL 4-(HYDROXYMETHYL)PYRIDIN-2-YLCARBAMATE-->Butoconazole-->6-tert-Butyl-m-cresol-->2,4-DI-(TERT-BUTOXY)-5-BROMOPYRIMIDINE-->2-tert-Butyl-4,5-dichloro-3-2H-pyridazinone-->tert-Butyl peroxy-2-ethylhexanoate-->Butylparaben-->4-Tert-butyl-2,6-dimethylbenzylchloroide-->2-tert-Butyl-4-methylphenol-->5-TERT-BUTOXYCARBONYLAMINO-PYRIDINE-3-CARBOXYLIC ACID-->sodium butyl 9(or 10)-(sulphonatooxy)octadecanoate-->4-(BROMOMETHYL)-BENZOIC ACID, 1,1-DIMETHYLETHYL ESTER-->4-PIPERIDINECARBOXYLIC ACID T-BUTYL ESTER HCL-->RH-5849(Rhom & Haas-->Butyl stearate-->Dispersant CS-->2,2'-Methylenebis(6-tert-butyl-4-methylphenol)-->TERT-BUTYL 4-(METHOXYCARBONYL)PYRIDIN-2-YLCARBAMATE-->BENZYL BUTYL ETHER
Hazard InformationBack Directory
[General Description]

Colorless oily liquid with a sharp alcohol odor. Floats and mixes with water. Produces irritating vapor. Freezing point is 78°F.
[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].
[Air & Water Reactions]

Highly flammable. Water soluble.
[Hazard]

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

Vapor is narcotic in action and irritating to respiratory passages. Liquid is irritating to skin and eyes.
[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.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy
[Fire Hazard]

This chemical is flammable.
[Shipping]

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

Butyl alcohols may form explosive mixture with air. In all cases they are Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Attacks some plastics, rubber and coatings. n-Butanol is incompatible with strong acids; halogens, caustics, alkali metals; aliphatic amines; isocyanates. sec-Butanol forms an explosive peroxide in air. Ignites with chromium trioxide. Incompatible with strong oxidizers; strong acids; aliphatic amines; isocyanates, organic peroxides. 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). isoButanol is incompatible with strong acids; strong oxidizers; caustics, aliphatic amines; isocyanates, alkali metals and alkali earth. May react with aluminum at high temperatur
[Waste Disposal]

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

Plastics, lacquers, cellulose esters, fruit essences, perfumes, and chemical intermediates; additive to unleaded gasoline
[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.
[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.
[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.
[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)
[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.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

tert-Butanol(75-65-0).msds
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butanol(75-65-0) MS
tert-Butanol(75-65-0) 1H NMR
tert-Butanol(75-65-0) Raman
tert-Butanol(75-65-0) IR2
tert-Butanol(75-65-0) IR1
tert-Butanol(75-65-0) 13C NMR
tert-Butanol(75-65-0) ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-Butanol, for analysis ACS(75-65-0)
[Alfa Aesar]

tert-Butyl alcohol, anhydrous, 99.8%, packaged under Argon in resealable ChemSeal™ bottles(75-65-0)
[Sigma Aldrich]

75-65-0(sigmaaldrich)
[TCI AMERICA]

tert-Butanol,>99.0%(GC)(75-65-0)
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