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Merck
CN

77597

1-Pentanol

analytical standard

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:
41116107
NACRES:
NA.24
PubChem Substance ID:
329767799
EC Number:
200-752-1
Beilstein/REAXYS Number:
1730975
MDL number:
MFCD00002977

Key Documents

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Product Name

1-Pentanol, analytical standard

InChI key

AMQJEAYHLZJPGS-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCO

grade

analytical standard

vapor density

3 (vs air)

vapor pressure

1 mmHg ( 13.6 °C)
1.5 mmHg ( 20 °C)

assay

≥99.8% (GC)

shelf life

limited shelf life, expiry date on the label

expl. lim.

10 %, 100 °F

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

1-Pentanol has been used as a reference standard for the analysis of the analyte in honey samples and in Spanish sparkling wine samples by liquid chromatography coupled with tandem mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS), respectively. It may be used as a reference standard for the determination of the analyte in food samples by two-dimensional gas chromatography equipped with flame ionization detector (FID) as well as time-of-flight spectrometry (ToF MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

1-Pentanol is a type of alcohol which has been proposed as an alternate for conventional gasoline and diesel fuels.
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food.

Find all available reference materials for compounds listed in 10/2011 here

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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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
This item has

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM1623
BCCM5718
BCCG6073
BCBZ8110
BCBV0608

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Comprehensive two-dimensional gas chromatography of complex samples by using a `reversed-type?column combination: application to food analysis
Adahchour M, et al.
Journal of Chromatography A, 1054(1-2), 47-55 (2004)
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)
Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography?mass spectrometry (GC?MS) analysis.
Bosch-Fuste J, et al.
Food Chemistry, 105(1), 428-435 (2007)
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)
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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