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398268

Sigma-Aldrich

1-Pentanol

ACS reagent, ≥99%

Synonym(s):
n-Amyl alcohol, Pentyl alcohol
Linear Formula:
CH3(CH2)4OH
CAS Number:
Molecular Weight:
88.15
Beilstein:
1730975
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

ACS reagent

vapor density

3 (vs air)

vapor pressure

1 mmHg ( 13.6 °C)
1.5 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

572 °F

expl. lim.

10 %, 100 °F

impurities

≤0.075 meq/g acids and esters
≤0.1% carbonyl (as HCHO)
≤0.5% water

evapn. residue

≤0.003%

color

APHA: ≤30

refractive index

n20/D 1.409 (lit.)

bp

136-138 °C (lit.)

mp

−78 °C (lit.)

solubility

water: soluble 22.8 g/L at 25 °C

density

0.811 g/mL at 25 °C (lit.)

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 monohydroxy alcohol. It is a colorless liquid with a characteristic odor. Its combustion properties have been studied as it shows promising features to be an alternative to gasoline and diesel fuels. The conversion of 1-pentanol to di-n-pentyl ether (DNPE) in liquid phase at 423K in a batch reactor using ion exchange resins as catalysts.

Application

1-Pentanol was used in the synthesis of 2-methyltetrahydrofuran by oxidation using ceric ammonium nitrate (CAN).

Packaging

1 L in glass bottle
500 mL in glass bottle

Signal Word

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 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

Certificate of Analysis

Certificate of Origin

Oxidation of organic compounds with cerium (IV). IX. Formation of 2-methyltetrahydrofuran by oxidation of 1-pentanol.
Trahanovsky WS, et al.
Tetrahedron Letters, 10(30), 2501-2504 (1969)
Solvothermal synthesis of submillimeter ultralong hydroxyapatite nanowires using a calcium oleate precursor in a series of monohydroxy alcohols.
Jiang YY, et al.
Ceramics International, 41(4), 6098-6102 (2015)
Liquid-phase dehydration of 1-octanol, 1-hexanol and 1-pentanol to linear symmetrical ethers over ion exchange resins.
Casas C, et al.
Applied Catalysis A: General, 396(1), 129-139 (2011)
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)
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

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