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Merck

34867

1-Butanol

suitable for HPLC, ≥99.7%

Synonym(s):

n-Butanol, Butyl alcohol

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About This Item

Linear Formula:
CH3(CH2)3OH
CAS Number:
71-36-3
Molecular Weight:
74.12
UNSPSC Code:
41116105
NACRES:
NA.21
PubChem Substance ID:
329755075
EC Number:
200-751-6
Beilstein/REAXYS Number:
969148
MDL number:
MFCD00002964
Assay:
≥99.7%
Grade:
HPLC grade
Technique(s):
HPLC: suitable, UV/Vis spectroscopy: suitable
Bp:
116-118 °C (lit.)
Vapor pressure:
5.5 mmHg

Key Documents

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grade

HPLC grade

Quality Level

100

vapor density

2.55 (vs air)

vapor pressure

5.5 mmHg

assay

≥99.7%

form

liquid

autoignition temp.

649 °F

expl. lim.

11.2 %

technique(s)

HPLC: suitable, UV/Vis spectroscopy: suitable

impurities

≤0.001% non-volatile matter, ≤0.002% free acid (as C3H7COOH), ≤0.1% water (Karl Fischer)

transmittance

210 nm, ≥20%, 235 nm, ≥80%, 280 nm, ≥98%

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.)

application(s)

food and beverages

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 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. Kinetic studies suggest that the reaction proceeds via competitive consecutive second order. Its dehydration reaction has been employed as a standard reaction to evaluate the acidic and basic characteristics of various silica-aluminas.

Application

Suitable for HPLC, spectrophotometry, environmental testing
1-Butanol may be used for the solid acid (an acidic salt of H3PW12O40, Cs2.5H0.5PW12O40) catalyzed esterification of acrylic acid. It may be used as a cosolvent to investigate the enantioselective separation of racemic cyclohexyl methylphosphonofluoridate (cyclosarin, GF) by an chiral supercritical fluid chromatographic (SFC) technique.

Packaging

M-Bottle for Solvents
As a global leader in lab reagents, we are constantly looking for new ways to optimize the safety of our products. The newly developed 4L solvent bottle design features advanced sealing technology that eliminates leaks to make the handling of solvents safer and more convenient than ever before.
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Other Notes

Important notice
The article number 34867-4X2.5L will be discontinued. Please order the single bottle 34867-2.5L which is physically identical with the same exact specifications.
Discover LiChropur reagents ideal for HPLC or LC-MS analysis

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Danger

Hazard Classifications

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

target_organs

Central nervous system, Respiratory system

Storage Class

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

34867-1L:4548173221434 + 34867-VAR: + 34867-4X2.5L:4548173260471 + 34867-4L:4548173260464 + 34867-4X4L:4548173221427 + 34867-100ML:4548173221403 + 34867JP-4X2.5L: + 34867-2L:4548173221397 + 34867-4L-PW: + 34867-BULK: + 34867-6X1L:4548173221410 + 34867-2.5L:4548173221441

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Certificates of Analysis (COA)

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Shane A Kasten et al.
Chirality, 26(12), 817-824 (2014-10-10)
Chemical warfare nerve agents (CWNAs) are extremely toxic organophosphorus compounds that contain a chiral phosphorus center. Undirected synthesis of G-type CWNAs produces stereoisomers of tabun, sarin, soman, and cyclosarin (GA, GB, GD, and GF, respectively). Analytical-scale methods were developed using
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)
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)
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
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)
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