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H6703

Sigma-Aldrich

Hexadecane

ReagentPlus®, 99%

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
Beilstein:
1736592
EC Number:
208-878-9
MDL number:
MFCD00008998
UNSPSC Code:
12352100
PubChem Substance ID:
57654266
NACRES:
NA.21

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

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

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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

Pictograms

Health hazard
GHS08

Signal Word

Danger

Hazard Statements

H304

Precautionary Statements

P301 + P310 - P331 - P405 - P501

Hazard Classifications

Asp. Tox. 1

Supplementary Hazards

EUH066

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

233.6 °F

Flash Point(C)

112 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR3947
SHBR6994
WXBF4184V
SHBR6608
WXBF2868V

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The gas-phase oxidation of n-hexadecane.
Fournet R, et al.
International Journal of Chemical Kinetics, 33(10), 574-586 (2001)
High thermal performance composite PCMs loading xGnP for application to building using radiant floor heating system
Jeon J, et al.
Solar Energy Mat. and Solar Cells, 101, 51-56 (2012)
Kinetics and product distribution of n-hexadecane pyrolysis.
Watanabe M, et al.
AIChE Journal, 46(4), 843-856 (2000)
Comparison of Pt/zeolite catalysts for n-hexadecane hydroisomerization.
Park KC and Ihm SK.
Applied Catalysis A: General, 203(2), 201-209 (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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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.

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.

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.

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.

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