n-Butanol

CAS No. 71-36-3

Formula: C4H10O
Basic Info

n-Butanol or n-butyl alcohol or normal butanol is a primary alcohol with a 4-carbon structure and the chemical formula C4H9OH. Its isomers include isobutanol, 2-butanol, and tert-butanol. Butanol is one of the group of "fusel alcohols" (from the German for "bad liquor"), which have more than two carbon atoms and have significant solubility in water.
n-Butanol occurs naturally as a minor product of the fermentation of sugars and other carbohydrates, and is present in many foods and beverages. It is also a permitted artificial flavorant in the United States, used in butter, cream, fruit, rum, whiskey, ice cream and ices, candy, baked goods and cordials. It is also used in a wide range of consumer products.
The largest use of n-butanol is as an industrial intermediate, particularly for the manufacture of butyl acetate (itself an artificial flavorant and industrial solvent). It is a petrochemical, manufactured from propylene and usually used close to the point of manufacture. Estimated production figures for 1997 are: United States 784,000tonnes; Western Europe 575,000tonnes; Japan 225,000tonnes.

Formula
C4H10O
Molecular Weight
74.1216
Exact Mass
74.0732
LogP
0.7788
PSA
20.23
Synonyms

n-C4H9OH

n-Butyl alcohol

1-Butanol

Butan alcohol

Butanol-1

n-Butul alcohol

1-Butyl alcohol

Butan-1-ol

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Properties
Appearance & Physical State
colourless liquid
Density
0.81
Boiling Point
117.6ºC
Melting Point
-89ºC
Flash Point
35ºC
Refractive Index
1.398-1.4
Water Solubility
80 g/L (20 ºC)
Stability
Stable. Incompatible with strong acids, strong oxidizing agents, aluminium, acid chlorides, acid anhydrides, copper, copper alloys. Flammable.
Storage Condition
Store at RT.
Vapor Density
2.55 (vs air)
Safety Info
RTECS
EO1400000
Safety Statements
S13-S26-S37/39-S46-S7/9
WGK Germany
1
Risk Statements
R10; R22; R37/38; R41; R67
HS Code
2905130000
RIDADR
UN 1120 3/PG 3
Hazard Class
3
Packing Group
III
Caution Statement
P210; P280; P301 + P312 + P330; P304 + P340 + P312; P305 + P351 + P338 + P310; P403 + P235
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Human
Dose/Duration
50 ppm
Toxic Effects
--
Reference
Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,282,1943
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
405 mg/24H
Toxic Effects
--
Reference
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. (1810 Frontage Rd., Northbrook, IL 60062) Volume(issue)/page/year: 2-5/1969
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
20 mg/24H
Toxic Effects
--
Reference
Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,193,1986

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