Supplier Related Products Identification Chemical Properties Safety Data Raw materials And Preparation Products Hazard Information Material Safety Data Sheet(MSDS) Questions And Answer Spectrum Detail Well-known Reagent Company Product Information
ChemicalBook >  CAS DataBase List  > 78-83-1

78-83-1

Supplier Related Products Identification Chemical Properties Safety Data Raw materials And Preparation Products Hazard Information Material Safety Data Sheet(MSDS) Questions And Answer Spectrum Detail Well-known Reagent Company Product Information

Product Image

Identification

Name
2-Methyl-1-propanol
CAS
78-83-1
Synonyms
2-BUTANOL
2-METHYL-1-PROPANOL
2-METHYLPROPAN-1-OL
2-Methyl propanol
BUTANOL-ISO
FEMA 2179
IBA
ISOBUTANOL
ISOBUTANOL, 2-METHYL-1-PROPANOL
ISOBUTYL ALCOHOL
ISO-PROPYL BARBINOL
ISOPROPYL CARBINOL
NATURAL ISO BUTYL ALCOHOL
1-Hydroxymethylpropane
1-propanol,2-methyl-
2-methyl-1-propano
2-methyl-1-propanyl alcohol
2-methylpropanoI
2-Methylpropanol-[1]
2-Methylpropanol-1
EINECS(EC#)
201-148-0
Molecular Formula
C4H10O
MDL Number
MFCD00004740
Molecular Weight
74.12
MOL File
78-83-1.mol

Chemical Properties

Appearance
colourless oily liquid
mp 
−108 °C(lit.)

Melting point 
-108 °C (lit.)
Boiling point 
108 °C (lit.) 108 °C
bp 
108 °C(lit.)

density 
0.803 g/mL at 25 °C(lit.)

vapor density 
2.55 (vs air)

vapor pressure 
8 mm Hg ( 20 °C)

FEMA 
2179
refractive index 
n20/D 1.396(lit.)

Fp 
82 °F

storage temp. 
Flammables area
solubility 
water: miscible70g/L at 20°C
form 
Solid
pka
>14 (Schwarzenbach et al., 1993)
color 
APHA: ≤10
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, aluminium.
Odor
Slightly suffocating; nonresidual alcoholi
Relative polarity
0.552
PH
7 (80g/l, H2O, 20℃)
Odor Threshold
0.011ppm
explosive limit
1.5-12%(V)
Water Solubility 
95 g/L (20 ºC)
λmax
λ: 260 nm Amax: 0.10
λ: 280 nm Amax: 0.06
JECFA Number
251
Merck 
14,5131
BRN 
1730878
Henry's Law Constant
20.0 at 30.00 °C, 72.2 at 50.00 °C, 133 at 60.00 °C, 216 at 70.00 °C, 330 at 80.00 °C (headspace- GC, Hovorka et al., 2002)
Exposure limits
TWA 300 mg/m3 (100 ppm) NIOSH, 150 mg/m3 (50 ppm) (ACGIH); IDLH 8000 ppm.
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
CAS DataBase Reference
78-83-1(CAS DataBase Reference)
NIST Chemistry Reference
1-Propanol, 2-methyl-(78-83-1)
EPA Substance Registry System
78-83-1(EPA Substance)

Safety Data

Hazard Codes 
Xi
Risk Statements 
R10:Flammable.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R67:Vapors may cause drowsiness and dizziness.
Safety Statements 
S13:Keep away from food, drink and animal feeding stuffs .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S46:If swallowed, seek medical advice immediately and show this container or label .
S7/9:Keep container tightly closed and in a well-ventilated place .
RIDADR 
UN 1212 3/PG 3

WGK Germany 
1

RTECS 
NP9625000

Autoignition Temperature
801 °F
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29051400
Hazardous Substances Data
78-83-1(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 2.46 g/kg (Smyth)
IDLA
1,600 ppm

Raw materials And Preparation Products

Hazard Information

General Description
A clear colorless liquid with a sweet odor. Flash point 85-100°F. Less dense than water. Vapors heavier than air.
Reactivity Profile
ISOBUTANOL(78-83-1) is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. This chemical is incompatible with strong oxidizers.
Air & Water Reactions
Highly flammable. Soluble in water.
Hazard
Flammable, moderate fire risk. Strong irritant.
Health Hazard
Contact with eyes is extremely irritating and may cause burns. Breathing vapors will be irritating to the nose and throat. In high concentrations, may cause nausea, dizziness, headache, and stupor.
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.
Fire Hazard
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
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
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
Description
Isobutyl alcohol has a disagreeable odor. May be prepared from isobutylene; by reduction of isobutyraldehyde with sodium amalgam or in the presence of a catalyst; by fermentation of isobutyraldehyde; isolated during fermentation of carbohydrates.
Waste Disposal
Incineration, or bury absorbed waste in an approved land fill.
Physical properties
Clear, colorless, oily liquid with a sweet, musty odor. Burning taste. The average least detectable odor threshold concentration in water at 60 °C was 0.36 mg/L (Alexander et al., 1982). Experimentally determined detection and recognition odor threshold concentrations were 2.0 mg/m3 (660 ppbv) and 5.4 mg/m3 (1.8 ppmv), respectively (Hellman and Small, 1974). An odor threshold concentration of 11 ppbv was reported by Nagata and Takeuchi (1990).
Occurrence
Reported found in the essential oils of Java citronella, tea, Eucalyptus amygdalina. Also reported in apple and currant aromas; in apricots, banana, sweet cherry, orange, grapefruit and tangerine juice, berries, guava, grapes, melon, papaya, pear, pineapple, leek, peas, rutabaga, tomato, ginger, spearmint oil, vinegar, breads, cheeses, milk, fish oil, meats, hop oil, beer, cognac, rum, whiskies, sherry, cider, grape wines, cocoa, tea, coffee, nuts, oats, soybean, avocado, olive, passion fruit, plum, beans, mango, starfruit, bantu beer, plum brandy, tamarind, fig, cardamom, gin, quince, radish, prickly pear, litchi, sukiyaki, lovage leaf, buckwheat, sweet corn, laurel, malt, wort, elderberry juice, dried bonito, krill, kiwifruit, loquat, fruit brandies and wines, endive, shrimp, truffle, red currants, Roman chamomile oil and other sources.
Definition
ChEBI: An alkyl alcohol that is propan-1-ol substituted by a methyl group at position 2.
Production Methods
Isobutanol is commercially produced almost exclusively by the hydrogenation of isobutyraldehyde obtained from propylene using the oxo process.
Preparation
From isobutylene; by reduction of isobutyraldehyde with sodium amalgam or in the presence of a catalyst; by fermentation of isobutyraldehyde; isolated during fermentation of carbohydrates
Aroma threshold values
Detection: 360 ppb to 3.3 ppm
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
Nineteen Wistar rats were dosed with 0.2mL of isobutanol twice weekly by oral intubation. The average survival time was 495 days. It was reported that malignant tumors developed in three animals; one had a forestomach carcinoma and a liver cell carcinoma, another had a forestomach carcinoma and myelogenous leukemia, and the third, a myelogenous leukemia. In the same study, 24 rats were injected subcutaneously with 0.05 mL/kg twice weekly. The average survival time was 544 days. A total of eight malignant tumors developed: two forestomach carcinomas, two liver sarcomas, one spleen sarcoma, one mesothelioma, and two retroperitoneal sarcomas. Increased incidences of total tumors were observed by both routes of administration, but there was no significant increased incidence of any tumor type at any site. This study is considered inappropriate for cancer risk assessment.
Source
A product of whiskey fermentation (quoted, Verschueren, 1983). Isobutyl alcohol also occurs in tea leaves and java cintronella plants (Duke, 1992).
Environmental Fate
Biological. Bridié et al. (1979) reported BOD and COD values of 0.41 and 2.46 g/g using filtered effluent from a biological sanitary waste treatment plant. These values were determined using a standard dilution method at 20 °C for a period of 5 d. When a sewage seed was used in a separate screening test, a BOD value of 1.63 g/g was obtained. Heukelekian and Rand (1955) reported a 5-d BOD value of 1.66 g/g which is 64.0% of the ThOD value of 2.59 g/g. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM isobutyl alcohol) and ThOD were 3.92 and 65.3%, respectively (Vaishnav et al., 1987).
Chemical/Physical. Isobutyl alcohol will not hydrolyze because it does not have a hydrolyzable functional group (Kollig, 1993).
At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 581 mg/L. The adsorbability of the carbon used was 84 mg/g carbon (Guisti et al., 1974).
Purification Methods
Isobutanol is dried by refluxing with CaO and BaO for several hours, followed by treatment with calcium or aluminium amalgam, then fractional distilling it from sulfanilic or tartaric acids. More exhaustive purifications involve formation of phthalate or borate esters. Heating it with phthalic anhydride gives the acid phthalate which, after crystallisation to constant melting point (m 65o) from pet ether, is hydrolysed with aqueous 15% KOH. The alcohol is distilled off as the water azeotrope and dried (K2CO3, then anhydrous CuSO4), and finally magnesium turnings, followed by fractional distillation. [Hückel & Ackermann J Prakt Chem 136 15 1933.] The borate ester is formed by heating the dried alcohol for 6hours in an autoclave at 160-175o with a quarter of its weight of boric acid. After fractional distillation under vacuum, the ester is hydrolysed by heating for a short time with aqueous alkali and the alcohol is dried with CaO and distilled. [Michael et al. J Am Chem Soc 38 653 1916.] Alternatively dry the alcohol with K2CO3, CaSO4 or CaCl2, filter and fractionally distil it. For further drying, the redistilled alcohol can be refluxed with the appropriate alkyl phthalate or succinate as described under ethanol. [Beilstein 1 IV 1588.]

Material Safety Data Sheet(MSDS)

Questions And Answer

Isobutanol
Isobutanol, also known as isopropyl alcohol, 2-methyl propanol is a colorless alcohol flammable liquid. Isobutanol is one of the main ingredients of fresh tea leaves, black tea and green tea to produce the wonderful aroma with the molecular weight of 74.12, boiling point of 107.66 ℃, relative density of 0.8016 (20/4 ℃), refractive index of 1.3959 and a flash point of 37 ℃. Isobutanol is fully dissolved in alcohol and ether, slightly soluble in water. Its vapor can form an explosive mixture with air; the explosion limit is 2.4% (volume). It can form addition compounds (CaCl2 • 3C4H10O) with calcium chloride. Isobutanol can be obtained by the distillation of the by-product of methanol and can also be derived from distillation of crude fusel oil. Using Industrial carbonyl cobalt as a catalyst, making propylene and carbon monoxide and hydrogen mixture react at 110~140 ° C, 2.0265 × 107~3.0397 × 107Pa to generate butyraldehyde and isobutyraldehyde, and then via catalytic hydrogenation, separation can obtain isobutanol. Isobutanol is used in the manufacture of petroleum additives, antioxidants, plasticizers, synthetic rubber, artificial musk, fruit oil and synthetic drugs and also used as solvents and chemical reagents.
Chemical properties
It is a kind of colorless transparent liquid with a special smell, soluble in water, and fully dissolved in ethanol and ether.
Uses
(1)  For analysis reagents, chromatography reagents, solvents and extraction agent.
(2)  As raw materials for the organic synthesis, and also act as a superior solvent.
(3)  Isobutanol is raw materials for organic synthesis. It mainly used in the synthesis of isobutyronitrile, an intermediate for diazinon.
(4)  As raw materials of organic synthesis, isobutanol is used in the manufacture of petroleum additives, antioxidants, 2, 6-butylated hydroxytoluene, isobutyl acetate (paint solvents), plasticizers, synthetic rubber, artificial musk, fruit oil and synthetic drugs. It can also be used to purify strontium, barium and lithium salts and other chemical reagents and used as a superior solvent.
(5)  Extraction solvent. Food flavors listed in GB 2760-96.
Production method
(1) In the presence of sodium amalgam or other catalysts, it is derived from the reduction of butyraldehyde;r it is derived from the distillation of the by-product obtained from the synthesis of methanol.
(2) 1. Carbonyl synthesis (by-product of butanol production from propylene) : using propylene and synthesis gas as raw material, going through  carbonyl synthesis in the system to get  n-butyl and isobutyl  aldehyde, after the catalyst, hydrogenating into alcohol, then undergoing dehydration and separation can obtain the product of   n-butyl and isobutyl  alcohol respectively.
2. Hydrogenation of isobutyraldehyde: isobutyraldehyde via the liquid hydrogenation reaction, obtained isobutanol in the catalytic nickel.
3. Recycle from isobutyl oil, a byproduct of synthetic methanol distillation: isobutanol is obtained by dehydration of methanol, salting out and then azeotropic distillation of isobutyl oil.
(3) The preparation method is using synthesis gas and propylene as raw materials, obtaining isobutyraldehyde during the carbonyl synthesis of 2-ethylhexyl alcohol, and then by hydrogenation to acquire isobutanol.
Hazards & Safety Information
Category: Flammable liquids
Toxic classification: Moderately hazardous
Acute toxicity: Oral-Rat LD50: 2460 mg/kg; Abdominal-Mouse LD50: 1801 mg/kg
Stimulation data: Eye-Rabbit 2 mg Severity
Explosives hazardous characteristics: To be explosive when mix with air.
Flammability hazard characteristics: Flammable in case of fire, high temperature, oxidant; stimulating the smoke when combustion.
Storage and transportation characteristics: Ventilation and low-temperature drying in treasury; oxidants and acids stored separately.
Extinguishing agent: Dry powder, dry sand, carbon dioxide, foam.
Occupational Standard: TWA 50 PPM.

Spectrum Detail

Well-known Reagent Company Product Information

SupplierMore