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H6703

Hexadecane

Name: Hexadecane
Brand: SIAL

99%, liquid, suitable for synthesis, ReagentPlus^®

Synonym(s):

n-Hexadecane, Cetane

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About This Item

Linear Formula:

CH₃(CH₂)₁₄CH₃

CAS Number:

544-76-3

Molecular Weight:

226.44

NACRES:

NA.21

PubChem Substance ID:

57654266

UNSPSC Code:

12352100

EC Number:

208-878-9

MDL number:

MFCD00008998

Beilstein/REAXYS Number:

1736592

Assay:

99%

Bp:

287 °C (lit.)

Vapor pressure:

1 mmHg ( 105.3 °C)

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Properties

Product Name

Hexadecane, ReagentPlus^®, 99%

vapor density

7.8 (vs air)

Quality Level

200

vapor pressure

1 mmHg ( 105.3 °C)

product line

ReagentPlus^®

assay

99%

form

liquid

autoignition temp.

395 °F

dilution

(for general lab use)

refractive index

n20/D 1.434 (lit.)

bp

287 °C (lit.)

mp

18 °C (lit.)

transition temp

solidification point 17.5-18.5 °C

density

0.773 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCCCCCCCCCC

InChI

1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChI key

DCAYPVUWAIABOU-UHFFFAOYSA-N

Description

General description

Hexadecane (n-Hexadecane) is an aliphatic long-chain hydrocarbon. It is a reference fuel with the cetane number 100 and is employed in determining the cetane number of diesel fuels. The mechanism of the oxidation of hexadecane in the gas-phase has been described. The density, speed of sound, adiabatic compressibility and compressed liquid density of hexadecane have been determined. The performance of platinum/zeolite catalysts for the hydroisomerization of n-hexadecane has been assessed. The thermal degradation of n-hexadecane forms n-alkanes and 1-alkenes as key products.

Application

Hexadecane has been used as a phase change material (PCM) in the preparation of hexadecane/xGnP (exfoliated graphite nanoplatelet), a composite PCM loaded with xGnP.

Legal Information

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

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pictograms

GHS08

signalword

Danger

hcodes

H304

pcodes

P301 + P310 - P331 - P405 - P501

Hazard Classifications

Asp. Tox. 1

supp_hazards

EUH066

Storage Class

10 - Combustible liquids

flash_point_f

233.6 °F

flash_point_c

112 °C

ppe

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

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Protocols

HDM-PAMPA with the MultiScreen Permeability Filter Plate

Assays that predict passive absorption of orally administered drugs have become increasingly important in the drug discovery process. As previously described by Faller and Kansy such assays provide rapid, low cost and automation friendly methods to measure a compound’s passive permeability.

The gas-phase oxidation of n-hexadecane.

Fournet R, et al.

International Journal of Chemical Kinetics, 33(10), 574-586 (2001)

Kinetics and product distribution of n-hexadecane pyrolysis.

Watanabe M, et al.

AIChE Journal, 46(4), 843-856 (2000)

Density and speed of sound measurements of hexadecane.

Outcalt S, et al.

The Journal of Chemical Thermodynamics, 42(6), 700-706 (2010)

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Global Trade Item Number

SKU	GTIN
H6703-500ML	04061837550621
H6703-100ML	04061837550607
H6703-1L	04061837550614
H6703-6X500ML	04061837550638