Merck
All Photos(3)

537993

Sigma-Aldrich

1-Butanol

99.9%

Synonym(s):
Butyl alcohol, n-Butanol
Linear Formula:
CH3(CH2)3OH
CAS Number:
Molecular Weight:
74.12
Beilstein:
969148
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

vapor density

2.55 (vs air)

vapor pressure

5.5 mmHg

assay

99.9%

form

liquid

autoignition temp.

649 °F

expl. lim.

11.2 %

impurities

≤0.005% Acidity (as Acetic acid)
≤0.020% n-Butyraldehyde
≤0.05 mg/mL Nonvolatile matter
≤0.050% Carbonyl (as C=O)
≤0.1% water (Karl Fischer)
≤0.100% Di-n-butyl ether
≤0.100% Isobutyl alcohol

color

APHA: ≤10

refractive index

n20/D 1.399 (lit.)

pH

7 (20 °C, 70 g/L)

bp

116-118 °C (lit.)

mp

−90 °C (lit.)

solubility

water: soluble

density

0.81 g/mL at 25 °C (lit.)

cation traces

Fe: ≤0.3 ppm

SMILES string

CCCCO

InChI

1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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General description

1-Butanol is an industrial solvent that can be obtained either from petroleum feedstock or by biomass fermentation. Some of its characteristic properties include high energy content, low vapor pressure and a better capability to combine with gasoline. Synthesis of di-n-butyl ether (DBE) in a fixed-bed flow reactor via dehydration of 1-butanol in the presence of γ-alumina, zeolites, and Amberlyst ion-exchange resins has been investigated. Its thermophysical properties have been calculated. Formation of fatty acid butyl esters (FABE) via transesterification of rapeseed and jatropha oil with 1-butanol in the presence of acid catalyst has been studied under varying conditions.

Application

1-Butanol may be used for the esterification of lactic acid in the presence of lipase from Candida antarctica and hexane solvent.

Packaging

1, 4 L in glass bottle
18, 20 L in steel drum
100 mL in glass bottle

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

95.0 °F - Pensky-Martens closed cup

Flash Point(C)

35 °C - Pensky-Martens closed cup

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Heat Capacity of 1-Butanol over a Wide Temperature Range.
Safarov J, et al.
Chemie Ingenieur Technik, 86(9), 1358-1358 (2014)
Lipase catalyzed esterification of lactic acid.
From M, et al.
Biotechnology Letters, 19(4), 315-318 (1997)
Optimization of acid catalyzed transesterification of jatropha and rapeseed oil with 1-butanol.
Bynes AN, et al.
Fuel: The Science and Technology of Fuel and Energy, 137, 94-99 (2014)
Flow reactor synthesis of cetane-enhancing fuel additive from 1-butanol.
Samoilov VO, et al.
Fuel Processing Technology, 140, 312-323 (2015)
Salting-out of acetone, 1-butanol, and ethanol from dilute aqueous solutions.
Xie S, et al.
AIChE Journal, 61(10), 3470-3478 (2015)

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