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281549

Sigma-Aldrich

1-Butanol

anhydrous, 99.8%

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
Beilstein:
969148
EC Number:
200-751-6
MDL number:
MFCD00002964
UNSPSC Code:
12352001
PubChem Substance ID:
57648290
NACRES:
NA.05

grade

anhydrous

Quality Level

100

vapor density

2.55 (vs air)

vapor pressure

5 (4 mmHg) at 20 °C hPa

Assay

99.8%

form

liquid

autoignition temp.

649 °F

expl. lim.

11.2 %

impurities

<0.005% water

evapn. residue

<0.0005%

color

colorless

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.)

SMILES string

CCCCO

InChI

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

InChI key

LRHPLDYGYMQRHN-UHFFFAOYSA-N

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Application

1-Butanol may be used as a solvent for the deoxygenation of O-protected alcohols via Barton-McCombie protocol.

Signal Word

Danger

Hazard Classifications

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

Target Organs

Respiratory system

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN6854
SHBN5928
SHBN4726
SHBN1307
SHBM9322

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Tributylstannane (Bu3SnH)-catalyzed barton-mccombie deoxygenation of alcohols: 3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-a-D-ribo-hexofuranose
Tormo J and Fu GC
Organic Syntheses, 78, 239-239 (2002)
Shane A Kasten et al.
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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)
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