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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
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
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
color 
<20(APHA)
PH
7 (25g/l, H2O, 20℃)
explosive limit
1.2-9%, 100°F
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)
SAFETY
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
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
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29335995
Hazardous Substances Data 123-51-3(Hazardous Substances Data)
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.

3-Methyl-1-butanol price More Price(39)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 1.00979 Isoamyl alcohol 123-51-3 1EA $145 2017-11-08 Buy
Sigma-Aldrich 1.00979 Isoamyl alcohol 123-51-3 2EA $303 2017-11-08 Buy
Alfa Aesar 36716 3-Methyl-1-butanol, ACS, 98.5+% 123-51-3 1L $67.6 2017-11-08 Buy
Alfa Aesar 36716 3-Methyl-1-butanol, ACS, 98.5+% 123-51-3 500ml $45.2 2017-11-08 Buy
Sigma-Aldrich 309435 3-Methyl-1-butanol anhydrous, ≥99% 123-51-3 1l $141 2017-11-08 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)

Chemical Properties

colourless liquid

Uses

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

Definition

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

Preparation Products


3-Methyl-1-butanol Suppliers

Global( 235)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
J & K SCIENTIFIC LTD. 400-666-7788 +86-10-82848833
+86-10-82849933 jkinfo@jkchemical.com;market6@jkchemical.com China 96831 76
Meryer (Shanghai) Chemical Technology Co., Ltd. +86-(0)21-61259100(Shanghai) +86-(0)755-86170099(ShenZhen) +86-(0)10-62670440(Beijing)
+86-(0)21-61259102(Shanghai) +86-(0)755-86170066(ShenZhen) +86-(0)10-88580358(Beijing) sh@meryer.com China 40403 62
Alfa Aesar 400-610-6006; 021-67582000
021-67582001/03/05 saleschina@alfa-asia.com China 30314 84
TCI (Shanghai) Development Co., Ltd. 800-988-0390
021-67121385 sales@tcishanghai.com.cn China 22833 81
BeiJing Hwrk Chemicals Limted 4006990298;010-57411839;0757-86311057;021-51691807
010-87653215;0757-86311057;021-55236763 sales@hwrkchemical.com China 15554 55
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021-58436166-800 info@energy-chemical.com China 44197 61
Beijing Ouhe Technology Co., Ltd +86-10-4006331231;+86-10-51280831;+86-10-82967028
+86-10-82967029 sales@ouhechem.com China 10816 60
JinYan Chemicals(ShangHai) Co.,Ltd. 13817811078,021-50426030
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Adamas Reagent, Ltd. 400-600-9262
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