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Chemical properties content analysis Uses Standards for Use of Food Additives Production methods Hazards & Safety Information

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;amylowyalkohol
Molecular Formula:C5H12O
Formula Weight:88.15
MOL File:123-51-3.mol
3-Methyl-1-butanol Property
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
Fp : 109.4 °F
storage temp. : Flammables area
color : <20(APHA)
Water Solubility : 25 g/L (20 ºC)
Merck : 14,5195
BRN : 1718835
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)
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
HazardClass : 3
PackingGroup : II
HS Code : 29335995
Hazardous Substances Data: 123-51-3(Hazardous Substances Data)

3-Methyl-1-butanol Chemical Properties,Usage,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).
(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.
Standards for Use of Food Additives
Chinese name of the additive Isoamyl alcohol
Chinese name of the food allowed to use the additive Foods
Additive function   food flavor
Maximum allowable use (g/kg) Maximum allowable residue (g/kg)
The perfume ingredients used in formulating fragrances shall not exceed the maximum allowable use and the maximum allowable residue in GB 2760.
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)
Chemical Properties
colourless liquid
Isoamylol is one of the several isomers of amyl alcohol and the main ingredient in the production of banana oil.
ChEBI: An alkyl alcohol that is butan-1-ol substituted by a methyl group at position 3.
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].
Health Hazard
Very high vapor concentrations irritate eyes and upper respiratory tract. Continued contact with skin may cause irritation.
3-Methyl-1-butanol Preparation Products And Raw materials
Raw materials
PEPPERMINT AlcoholMixture D-(+)-Maltose monohydrate Pentane Vanillin FUSEL OIL
Preparation Products
Isovaleraldehyde Isoamyl butyrate Isopentyl phenylacetate Diethyl isoamylmalonate Lobenzarit Ethopabate Norfloxacin Isopentyl formate Isoamyl nitrite N,N'-DICYCLOHEXYLUREA Ethyl 2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate Ethyl 2-(4-(ethoxycarbonyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate Bromisoval Pimelic acid Ethyl 2-(4-(hydroxymethyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylate ACETOACETIC ACID ISOAMYL ESTER Buprofezin Diethyl ethyl(isoamyl)malonate Calcitonin Pinacolone Allyl (3-methylbutoxy)acetate 2-Bromo-3-methylbutanoyl bromide Amyl salicylate 2-(4-Hydroxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide GALLIC ACID ISOAMYL ESTER Isoamyl benzoate Sodium isoamylxanthate Isopentyl isobutyrate FEMA 2080 2-(4-(Hydroxymethyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide N,N-Diethyl-4-nitrosoaniline Isoamyl acetate 3-Methylbutyl 3-methylbutanoate pinacolone,tert-butyl methy1 ketone,3,3-dimethyl-2-butyl ketone 1-(4-(Hydroxymethyl)-6-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol Isovaleric acid 1,3-BENZODITHIOLYLIUM TETRAFLUOROBORATE Isoamyl propionate (1-(4-(Hydroxymethyl)-6-(trifluoromethyl)pyrimidin-2-yl)piperidin-4-yl)methanol 1-Bromo-3-methylbutane
3-Methyl-1-butanol Suppliers      Global( 220)Suppliers     
J & K SCIENTIFIC LTD. 400-666-7788;market6@jkchemical.comCHINA 96839 76
Meryer (Shanghai) Chemical Technology Co., Ltd. +86-(0)21-61259100(Shanghai) +86-(0)755-86170099(ShenZhen) +86-(0)10-59487313(Beijing)+86-(0)21-61259102(Shanghai) +86-(0)755-86170066(ShenZhen) +86-(0)10-88580358(Beijing)sh@meryer.comCHINA 40406 62
Alfa Aesar 400-610-6006; 021-67582000021-67582001/03/05saleschina@alfa-asia.comCHINA 30330 84
TCI (Shanghai) Development Co., Ltd. 22834 81
Energy Chemical 021-58432009 / 400-005-6266021-58436166-800info@energy-chemical.comCHINA 44200 61
Beijing Ouhe Technology Co., Ltd +86-10-4006331231;+86-10-51280831;+86-10-82967028+86-10-82967029sales@ouhechem.comCHINA 10824 60
JinYan Chemicals(ShangHai) Co.,Ltd. 13817811078,021-5042603086-021-50426522,50426273sales@jingyan-chemical.comCHINA 10106 60
Secco work (Beijing) chemical technology co., LTD 010-69755668; 010-697556681139670422@qq.comCHINA 3560 54
Adamas Reagent, Ltd. 400-600-9262021-51701678mc@titansci.comCHINA 14025 59
Chemfun Medical Technology(Shanghai) Co., Ltd. 021-67220633 & 021-37212706+86-21-67220638chemfun@chemfun.netCHINA 21914 59
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