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3-Methyl-1-butanol

Chemical properties content analysis Uses Production methods Hazards & Safety Information
3-Methyl-1-butanol
3-Methyl-1-butanol structure
CAS No.
123-51-3
Chemical Name:
3-Methyl-1-butanol
Synonyms
Isoamylol;FEMA 2057;FUSEL OIL;ISOPENTANOL;alcoolamilico;ios-Pentanol ;Methyl-1-buta;3-methylbutan-;Alcool amilico;isoamylalkohol
CBNumber:
CB8852971
Molecular Formula:
C5H12O
Formula Weight:
88.15
MOL File:
123-51-3.mol

3-Methyl-1-butanol Properties

Melting point:
-117 °C
Boiling point:
131-132 °C
Density 
0.809 g/mL at 25 °C(lit.)
vapor density 
3 (vs air)
vapor pressure 
2 mm Hg ( 20 °C)
refractive index 
n20/D 1.407
FEMA 
2057 | ISOAMYL ALCOHOL
Flash point:
109.4 °F
storage temp. 
Flammables area
solubility 
25g/l
form 
Liquid
pka
>14 (Schwarzenbach et al., 1993)
Specific Gravity
0.813 (15/4℃)
color 
<20(APHA)
PH
7 (25g/l, H2O, 20℃)
Odor
Mild odor; alcoholic, non-residual.
explosive limit
1.2-9%, 100°F
Water Solubility 
25 g/L (20 ºC)
λmax
λ: 260 nm Amax: 0.06
λ: 280 nm Amax: 0.06
Merck 
14,5195
JECFA Number
52
BRN 
1718835
Henry's Law Constant
33.1 at 37 °C (Bylaite et al., 2004)
Exposure limits
NIOSH REL: TWA 100 ppm (360 mg/m3), IDLH 500 ppm; OSHA PEL: TWA 100 ppm; ACGIH TLV: TWA 100 ppm, STEL 125 ppm (adopted).
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides.
CAS DataBase Reference
123-51-3(CAS DataBase Reference)
NIST Chemistry Reference
1-Butanol, 3-methyl-(123-51-3)
EPA Substance Registry System
1-Butanol, 3-methyl-(123-51-3)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
  • NFPA
Hazard Codes  Xn
Risk Statements  10-20-37-66-20/22-R20/22-R10
Safety Statements  46-16-S16
RIDADR  UN 1105 3/PG 3
WGK Germany  1
RTECS  EL5425000
Autoignition Temperature 644 °F
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29335995
Hazardous Substances Data 123-51-3(Hazardous Substances Data)
Toxicity LD50 orally in rats: 7.07 ml/kg (Smyth)
Symbol(GHS):
Signal word: Warning
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H226 Flammable liquid and vapour Flammable liquids Category 3 Warning
H315 Causes skin irritation Skin corrosion/irritation Category 2 Warning P264, P280, P302+P352, P321,P332+P313, P362
H319 Causes serious eye irritation Serious eye damage/eye irritation Category 2A Warning P264, P280, P305+P351+P338,P337+P313P
H332 Harmful if inhaled Acute toxicity,inhalation Category 4 Warning P261, P271, P304+P340, P312
H335 May cause respiratory irritation Specific target organ toxicity, single exposure;Respiratory tract irritation Category 3 Warning
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313 IF eye irritation persists: Get medical advice/attention.
P370+P378 In case of fire: Use … for extinction.
P405 Store locked up.
P403+P235 Store in a well-ventilated place. Keep cool.

NFPA 704

Diamond Hazard Value Description
2
0
Health  
Flammability   2 Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur and multiple finely divided suspended solids that do not require heating before ignition can occur. Flash point between 37.8 and 93.3 °C (100 and 200 °F). (e.g. diesel fuel, sulfur)
Instability   0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)
Special  

(NFPA, 2010)

3-Methyl-1-butanol price More Price(43)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 309435 3-Methyl-1-butanol anhydrous, ≥99% 123-51-3 1l $150 2018-11-13 Buy
Sigma-Aldrich 1424153 3-Methyl-1-butanol United States Pharmacopeia (USP) Reference Standard 123-51-3 3x1.2ml $352.8 2018-11-13 Buy
TCI Chemical I0289 3-Methyl-1-butanol >99.0%(GC) 123-51-3 25mL $22 2018-11-22 Buy
TCI Chemical I0289 3-Methyl-1-butanol >99.0%(GC) 123-51-3 500mL $30 2018-11-22 Buy
Alfa Aesar 036716 3-Methyl-1-butanol, ACS, 98.5+% 123-51-3 1L $62.2 2018-11-16 Buy

3-Methyl-1-butanol Chemical Properties,Uses,Production

Chemical properties

Colorless to pale yellow clear oily liquid. Apple brandy aroma and spicy flavor. Melting point:-117.2 °C. Boiling point: 130 °C. Relative density (d2525): 0.813. Refractive index (nD20): 1.4075. Vapors are toxic. Miscible in ethanol and ether. Slightly soluble in water.
Natural products present in the form of esters in strawberries, peppermint, lemongrass, eucalyptus oil and rum and so on.

content analysis

determined through non-polar column method of gas chromatography(GT-10-4).
Toxicity  GRAS (FEMA).
Use limits
FEMA (mg/kg): soft drinks 17; cold drinks 7.6; candy 52; baked goods 24; pudding 46; gum 300; alcohol 100. Modest limit (FDA § 172.515, 2000).

Uses

(1) Used as food flavors according to GB 2760-96. Mainly used for the preparation of apple and banana flavor.
(2) Used as chromatographic reagent and extractant, and also used in the pharmaceutical industry
(3) Used in the manufacture of spices, pharmaceuticals and mineral processing agents, and also used as solvents
(4) This goods have apple brandy aroma and spicy flavor. China's GB 2760-86 provides for its allowable use as food spices, mainly for the preparation of apple and banana flavor. Isoamyl alcohol and sodium nitrite can perform esterification to form isoamyl nitrite, which is the fastest nitrous esters short-acting vasodilator. Isoamyl alcohol can be used to synthesize sedatives and hypnotics, such as bromural and amytal. Isoamyl alcohol can also be used as solvents and the reagents for chemical analysis. It is also used as the raw materials to produce plasticizers and photographic pharmaceutical. In addition, it is one component of the fuel oil.
(5) Used for the manufacture of spices, pharmaceuticals and photographic drugs, and also used as solvents.
(6) Used as the solvents of fat, resin and alkaloid. Used for the determination of fat in milk and the determination of iron, silicon, thorium and fusel oil. Also used for the complexation extraction of iron, cobalt, copper salt and diphenylcarbazide. Used for the separation of lithium Chloride from other alkali metal chlorides.

Production methods

(1) This product naturally presents in the form of esters in strawberries, peppermint, lemongrass, eucalyptus oil and rum and so on. It can be synthesized by acid method or the hydroformylation of C4 alkenes. 3-methyl-1-butanol (85% in the fusel oil) can be obtained by chemical treatment and distillation separation of the fusel oil that is the side products form the alcohol fermentation of starch and sugar.
(2) Derived from fusel oil fractionation.
Pentane performs chlorination and hydrolysis reaction to form mixed alcohol, and then isoamyl alcohol can be derived from the mixed alcohol.

Hazards & Safety Information

Category     Flammable liquids
Toxic classification   moderate toxic
Acute Toxicity   Oral-rat LD50: 1300 mg/kg; celiac-mouse LD50: 233 mg/kg
Stimulation Data   Skin-Rabbit 20mg/24hours Moderate; Eye-Rabbit 20mg/24hours Moderate
Explosives hazardous characteristics   Mix with air to be explosive
Flammability hazard characteristics   In case of fire, high temperature and oxidant flammable; combustion to release excitive smoke
Storage and transportation characteristics   Ventilation; Low temperature; dry; Separate storage with oxidizing agent
Extinguishing agent  dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent
Occupational Standard  TLV-TWA 100 PPM (360 mg /m3); STEL 125 PPM (450 mg/m3)

Description

Isoamyl alcohol has a characteristic pungent odor and repulsive taste. Industrially prepared by rectification of fusel oil.

Chemical Properties

Isoamyl alcohol has a fusel oil, whiskey-characteristic, pungent odor and repulsive taste.

Chemical Properties

Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.

Chemical Properties

colourless liquid

Physical properties

Clear, colorless liquid with a pungent odor. An odor threshold concentration of 1.7 ppbv was reported by Nagata and Takeuchi (1990).

Occurrence

Constitutes the major portion of fusel oil; also known as fermentation of amyl alcohol; it has been identified as an ester among the constituents of Roman chamomile oil; French peppermint, Java citronella, Réunion geranium, tea, Teucrium chamaedrys, Eucalyptus amigdalina, Achillea ageratum and Artemisia camphorata. It is reported present in the aromas of strawberry and raspberry. It is also reported found in over 230 natural sources including apple, apricot, banana, sweet and sour cherry, citrus peel oils and juices, berries, guava, grapes, raisin, melon, papaya, peach, pear, pineapple, asparagus, cabbage, kohlrabi, celery stalk and seed, leek, peas, potato, sauerkraut, tomato, ginger, mint oils, vinegar, mustard, bread, cheeses, butter, milk, fish,meats, cognac, rum, whiskies, cider, sherry, grape wines, tea, filberts, pecans, walnuts, oats, honey, soybean, avocado, Arctic bramble, olive, passion fruit, rose and Malay apple, mushroom, mango, tamarind, pear brandy, port, cardamom, gin, quince, radish, sukiyaki, sake, buckwheat, corn oil, sweet corn, laurel, malt, wort, cherimoya, loquat, Bourbon vanilla, shrimp, oysters, crayfish, mussels and scallops

Uses

Isoamylol is one of the several isomers of amyl alcohol and the main ingredient in the production of banana oil.

Uses

Solvent for fats, resins, alkaloids, etc.; manufacture of isoamyl (amyl) Compounds, isovaleric acid, mercury fulminate, pyroxylin, artificial silk, lacquers, smokeless powders; in microscopy; for dehydrating celloidin solutions; for determining fat in milk.

Definition

ChEBI: An alkyl alcohol that is butan-1-ol substituted by a methyl group at position 3.

Preparation

Industrially prepared by rectification of fusel oil.

Aroma threshold values

Detection: 250 ppb to 4.1 ppm

Taste threshold values

Taste characteristics at 50 ppm: fusel, fermented, fruity, banana, ethereal and cognac

General Description

Colorless liquid with a mild, choking alcohol odor. Less dense than water, soluble in water. Hence floats on water. Produces an irritating vapor.

Air & Water Reactions

Highly flammable. Water soluble.

Reactivity Profile

3-Methyl-1-butanol attacks plastics [Handling Chemicals Safely, 1980. p. 236]. Mixtures with concentrated sulfuric acid and strong hydrogen peroxide may cause explosions. Mixing with hypochlorous acid in water or water/carbon tetrachloride solution can generate isoamyl hypochlorites, which may explode, particularly on exposure to sunlight or heat. Mixing with chlorine would also yield isoamyl hypochlorites [NFPA 491 M, 1991]. Base-catalysed reactions with isocyanates can occur with explosive violence [Wischmeyer,1969].

Hazard

Moderate fire risk. Vapor is toxic and irritant. Explosive limits in air 1.2–9%.

Health Hazard

Very high vapor concentrations irritate eyes and upper respiratory tract. Continued contact with skin may cause irritation.

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.

Potential Exposure

(n-isomer); Suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (iso-, primary): Possible risk of forming tumors, Primary irritant (w/o allergic reaction), (sec-, active primary-, and other isomers) Primary irritant (w/o allergic reaction). Used as a solvent in organic synthesis and synthetic flavoring, pharmaceuticals, corrosion inhibitors; making plastics and other chemicals; as a flotation agent. The (n-isomer) is used in preparation of oil additives, plasticizers, synthetic lubricants, and as a solvent.

Environmental Fate

Biological. Using the BOD technique to measure biodegradation, the mean 5-d BOD value (mM BOD/mM isoamyl alcohol) and ThOD were 4.46 and 59.5%, respectively (Vaishnav et al., 1987).
Chemical/Physical. Isoamyl alcohol will not hydrolyze because it has no hydrolyzable functional group (Kollig, 1993).

Shipping

UN2811 Pentanols, Hazard Class: 3; Labels: 3- Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Dry the alcohol by heating with CaO and fractionally distilling, then heating with BaO and redistilling. Alternatively, boil it with concentrated KOH solution, wash it with dilute H3PO4, and dry it with K2CO3, then anhydrous CuSO4, before fractionally distilling it. If very dry alcohol is required, the distillate is refluxed with the appropriate alkyl phthalate or succinate as described for ethanol. It is separated from 2-methyl-1-butanol by fractional distillation, fractional crystallisation and preparative gas chromatography. [Beilstein 1 IV 1677.]

Incompatibilities

Forms an explosive mixture with air. Contact with strong oxidizers and hydrogen trisulfide may cause fire and explosions. Incompatible with strong acids. Violent reaction with alkaline earth metals forming hydrogen, a flammable gas.

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.

3-Methyl-1-butanol Preparation Products And Raw materials

Raw materials

Preparation Products


3-Methyl-1-butanol Suppliers

Global( 268)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
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View Lastest Price from 3-Methyl-1-butanol manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2018-07-23 3-Methyl-1-butanol
123-51-3
US $1800.00 / KG 170KG 99% 50tons career henan chemical co
2019-05-06 3-Methyl-1-butanol
123-51-3
US $10.00 / KG 1KG 99% 500tons/month Hebei Chisure Biotechnology Co., Ltd.

3-Methyl-1-butanol Spectrum


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