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Merck
CN

138975

1-Pentanol

ReagentPlus®, ≥99%

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
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
329750364
EC Number:
200-752-1
Beilstein/REAXYS Number:
1730975
MDL number:
MFCD00002977
Assay:
≥99%
Bp:
136-138 °C (lit.)
Vapor pressure:
1 mmHg ( 13.6 °C)
1.5 mmHg ( 20 °C)

Key Documents

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Product Name

1-Pentanol, ReagentPlus®, ≥99%

InChI

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

InChI key

AMQJEAYHLZJPGS-UHFFFAOYSA-N

SMILES string

CCCCCO

vapor density

3 (vs air)

vapor pressure

1 mmHg ( 13.6 °C)
1.5 mmHg ( 20 °C)

product line

ReagentPlus®

assay

≥99%

form

liquid

autoignition temp.

572 °F

expl. lim.

10 %, 100 °F

dilution

(for general lab use)

refractive index

n20/D 1.409 (lit.)

pH

7

bp

136-138 °C (lit.)

mp

−78 °C (lit.)

density

0.811 g/mL at 25 °C (lit.)

Quality Level

200

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Application

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

General description

1-Pentanol is a linear alcohol. Pentane, a ″next generation″ alcohol fuel, is a promising substitute for conventional gasoline and diesel fuels. Kinetics of thermal decomposition of its isomeric forms (1-pentanol, 2-methyl-1-butanol, and 3-methyl-1-butanol) have been reported.
1-Pentanol is a colorless liquid having a pleasant odor, which can be obtained as a product from the process of fractional distillation of mixed alcohols resulting from the chlorination and alkaline hydrolysis of pentane occurs.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

120.2 °F - closed cup

flash_point_c

49 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SDBB6740
SDBB3605
STBL4118
STBL1274
STBK9043

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Harbison.DR, et al.
Hamilton and Hardy's Industrial Toxicology, (6) (2015)
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
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)
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
Acid/base- and anion-controllable organogels formed from a urea-based molecular switch.
Sheng-Yao Hsueh et al.
Angewandte Chemie (International ed. in English), 49(48), 9170-9173 (2010-10-19)
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