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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

Certificate of Origin

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)
Heat Capacity of 1-Butanol over a Wide Temperature Range.
Safarov J, et al.
Chemie Ingenieur Technik, 86(9), 1358-1358 (2014)

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