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Merck
CN

113182

1-Phenylheptane

98%

Synonym(s):

Heptylbenzene

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About This Item

Linear Formula:
C6H5(CH2)6CH3
CAS Number:
1078-71-3
Molecular Weight:
176.30
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847139
EC Number:
214-084-3
Beilstein/REAXYS Number:
1905782
MDL number:
MFCD00009545

Key Documents

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Product Name

1-Phenylheptane, 98%

InChI key

LBNXAWYDQUGHGX-UHFFFAOYSA-N

InChI

1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3

SMILES string

CCCCCCCc1ccccc1

assay

98%

refractive index

n20/D 1.485 (lit.)

bp

233 °C (lit.)

mp

−48 °C (lit.)

density

0.86 g/mL at 25 °C (lit.)

functional group

phenyl

Quality Level

100

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Related Categories

Application

1-Phenylheptane is used in zirconia and titania based stationary phase capillary HTLC, to separate alkyl benzene derivatives using an acetonitrile-water eluent.

General description

Heptylbenzene (1-Phenylheptane) forms charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

203.0 °F - closed cup

flash_point_c

95 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ5252
MKCV0187
MKCV0079
MKCV2375
MKCT6409

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Hot eluent capillary liquid chromatography using zirconia and titania based stationary phases.
Kephart TS, et al.
Analytica Chimica Acta, 414(1-2), 71-78 (2000)
Giorgia Purcaro et al.
Analytica chimica acta, 1027, 158-167 (2018-06-06)
Untargeted metabolomics study of volatile organic compounds produced by different cell cultures is a field that has gained increasing attention over the years. Solid-phase microextraction has been the sampling technique of choice for most of the applications mainly due to
K Elias Ikonen et al.
Journal of chromatography. A, 1614, 460705-460705 (2019-11-23)
An update for ASTM D2425, "Standard Test Method for Hydrocarbon Types in Middle Distillates by Mass Spectrometry," was recently released to expand its scope by adding modern mass spectrometric instrumentation and a new sample type, synthesized hydrocarbons. While the method

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