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76929

Sigma-Aldrich

1-Pentanol

puriss. p.a., ACS reagent, ≥99.0% (GC)

Synonym(s):

n-Amyl alcohol, Pentyl alcohol

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About This Item

Linear Formula:
CH3(CH2)4OH
CAS Number:
71-41-0
Molecular Weight:
88.15
Beilstein:
1730975
EC Number:
200-752-1
MDL number:
MFCD00002977
UNSPSC Code:
12352100
PubChem Substance ID:
57652667
NACRES:
NA.21

grade

ACS reagent
puriss. p.a.

Quality Level

200

vapor density

3 (vs air)

vapor pressure

1 mmHg ( 13.6 °C)
1.5 mmHg ( 20 °C)

Assay

≥99.0% (GC)

form

liquid

expl. lim.

10 %, 100 °F

impurities

substances darkened by H2SO4, in accordance
≤0.005% free acid (as CH3COOH)
≤0.1% carbonyl compounds (as HCHO)
≤0.1% water

evapn. residue

≤0.002%

color

clear

refractive index

n20/D 1.409 (lit.)
n20/D 1.410

bp

136-138 °C (lit.)

mp

−78 °C (lit.)

density

0.811 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤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: ≤0.5 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.5 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤1 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CCCCCO

InChI

1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3

InChI key

AMQJEAYHLZJPGS-UHFFFAOYSA-N

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General description

1-Pentanol is a linear alcohol. Pentane, a ″next generation″ alcohol fuel, is a promising substitute of conventional gasoline and diesel fuels. Its combustion characteristics have been investigated. Kinetics of thermal decomposition of its isomeric forms (1-pentanol, 2-methyl-1-butanol, and 3-methyl-1-butanol) have been reported.

Application

1-Pentanol may be used as a cosurfactant in the water-in-oil mixed surfactant microemulsions.

Signal Word

Danger

Hazard Statements

H226,H315,H318,H332,H335

Hazard Classifications

Acute Tox. 4 Inhalation - 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)

120.2 °F - closed cup

Flash Point(C)

49 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ5963
BCCF2471
BCBW1679
BCBT5623
BCBR6187V

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Kaushik Kundu et al.
Journal of colloid and interface science, 385(1), 96-110 (2012-08-14)
The present study is focused on the evaluation of the interfacial composition, thermodynamic properties, and structural parameters of water-in-oil mixed surfactant microemulsions [(cetylpyridinium chloride, CPC+polyoxyethylene (20) cetyl ether, Brij-58 or polyoxyethylene (20) stearyl ether, Brij-78)/1-pentanol/n-heptane, or n-decane] under various physicochemical
Experimental and detailed kinetic modeling study of 1-pentanol oxidation in a JSR and combustion in a bomb.
Togbe C, et al.
Proceedings of the Combustion Institute, 33(1), 367-374 (2011)
Long Zhao et al.
The journal of physical chemistry. A, 116(37), 9238-9244 (2012-08-23)
Pentanol is one of the promising "next generation" alcohol fuels with high energy density and low hygroscopicity. In the present work, dominant reaction channels of thermal decomposition of three isomers of pentanol: 1-pentanol, 2-methyl-1-butanol, and 3-methyl-1-butanol were investigated by CBS-QB3
Sebastian Höfener et al.
Physical chemistry chemical physics : PCCP, 10(23), 3390-3399 (2008-06-07)
In the recent years, Slater-type geminals (STGs) have been used with great success to expand the first-order wave function in an explicitly-correlated perturbation theory. The present work reports on this theory's implementation in the framework of the Turbomole suite of
Anthony F Cann et al.
Applied microbiology and biotechnology, 85(4), 893-899 (2009-10-28)
Pentanol isomers such as 2-methyl-1-butanol and 3-methyl-1-butanol are a useful class of chemicals with a potential application as biofuels. They are found as natural by-products of microbial fermentations from amino acid substrates. However, the production titer and yield of the
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