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33065

Sigma-Aldrich

1-Butanol

puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., ≥99.5% (GC)

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

grade

ACS reagent
puriss. p.a.

Quality Level

agency

USP/NF
reag. ISO
reag. Ph. Eur.

vapor density

2.55 (vs air)

vapor pressure

5.5 mmHg

assay

≥99.5% (GC)

form

liquid

autoignition temp.

649 °F

expl. lim.

11.2 %

impurities

≤0.001% non-volatile matter
≤0.005% free acid (as C3H7COOH)
≤0.01% n-butylaldehyde
≤0.03% aldehydes, ketones (as C3H7CHO)
≤0.05% 2-butanol
≤0.1% di-n-butylether
≤0.1% water (Karl Fischer)
≤0.15% iso-butanol

refractive index

n20/D 1.399 (lit.)

pH

7 (20 °C, 70 g/L)

bp

116-118 °C (lit.)

mp

−90 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
B: ≤0.02 mg/kg
Ba: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sn: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CCCCO

InChI

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

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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1 of 4

This Item
34867B7906281549
vibrant-m

33065

1-Butanol

Essential Grade
vibrant-m

34867

1-Butanol

-
vibrant-m

B7906

1-Butanol

-
vibrant-m

281549

1-Butanol

-
assay

≥99.5% (GC)

assay

≥99.7%

assay

≥99%

assay

99.8%

Quality Level

200

Quality Level

100

Quality Level

100

Quality Level

100

form

liquid

form

liquid

form

liquid

form

liquid

autoignition temp.

649 °F

autoignition temp.

649 °F

autoignition temp.

649 °F

autoignition temp.

649 °F

density

0.81 g/mL at 25 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

density

0.81 g/mL at 25 °C (lit.)

General description

1-Butanol is a linear alcohol. Its biosynthesis from glucose using a bioengineered Escherichia coli strain has been reported. Its reaction with diisocyanates in the presence of triethylamine (catalyst) has been investigated by volumetric method. Its dehydration reaction has been employed as a standard reaction to evaluate the acidic and basic characteristics of various silica-aluminas.

Application

1-Butanol may be used for the solid acid (acidic salt of H3PW12O40, Cs2.5H0.5PW12O40) catalyzed esterification of acrylic acid.

Other Notes

The article number 33065-4X2.5L-R will be discontinued. Please order the single bottle 33065-2.5L-R which is physically identical with the same exact specifications.
The article number 33065-6X1L-R will be discontinued. Please order the single bottle 33065-1L-R which is physically identical with the same exact specifications.

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Product No.
Description
Pricing

signalword

Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

95.0 °F - Pensky-Martens closed cup

flash_point_c

35 °C - Pensky-Martens closed cup


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Sigma-Aldrich

B7906

1-Butanol

Acid-base properties of silica-aluminas: use of 1-butanol dehydration as a test reaction.
Berteau P, et al.
Applied Catalysis, 70(1), 307-323 (1991)
The kinetics of the triethylamine-catalyzed reaction of diisocyanates with 1-butanol in toluene.
Burkus J and Eckert CF.
Journal of the American Chemical Society, 80(22), 5948-5950 (1958)
Liquid phase esterification of acrylic acid with 1-butanol catalyzed by solid acid catalysts.
Chen X, et al.
Applied Catalysis A: General, 180(!), 261-269 (1999)
Prasenjit Seal et al.
The journal of physical chemistry. A, 117(2), 275-282 (2012-12-19)
In the present work, we study the H atom abstraction reactions by hydroxyl radical at all five sites of 1-butanol. Multistructural variational transition state theory (MS-VTST) was employed to estimate the five thermal rate constants. MS-VTST utilizes a multifaceted dividing
C R Shen et al.
Metabolic engineering, 10(6), 312-320 (2008-09-09)
Production of higher alcohols via the keto-acid intermediates found in microorganism's native amino-acid pathways has recently shown promising results. In this work, an Escherichia coli strain that produces 1-butanol and 1-propanol from glucose was constructed. The strain first converts glucose

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