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Merck

H6703

Hexadecane

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)

Key Documents

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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

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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

signalword

Danger

hcodes

H304

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

H6703-6X500ML: + H6703-VAR: + H6703-2ML: + H6703-BULK: + H6703-500ML: + H6703-1L: + H6703-100ML:

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Certificates of Analysis (COA)

Lot/Batch Number
03296BK
03396BK
24096KJ
51796EJ
17728BD

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Density and speed of sound measurements of hexadecane.
Outcalt S, et al.
The Journal of Chemical Thermodynamics, 42(6), 700-706 (2010)
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)
Comparison of Pt/zeolite catalysts for n-hexadecane hydroisomerization.
Park KC and Ihm SK.
Applied Catalysis A: General, 203(2), 201-209 (2000)
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)
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Protocols

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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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