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Sigma-Aldrich

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
Beilstein/REAXYS Number:
1905782
EC Number:
214-084-3
MDL number:
MFCD00009545
UNSPSC Code:
12352100
PubChem Substance ID:
24847139
NACRES:
NA.22

Quality Level

100

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.)

SMILES string

CCCCCCCc1ccccc1

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

InChI key

LBNXAWYDQUGHGX-UHFFFAOYSA-N

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General description

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

Application

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

pictograms

Environment
GHS09

signalword

Warning

hcodes

H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

wgk_germany

WGK 3

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closed cup

flash_point_c

closed cup

ppe

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

Certificates of Analysis (COA)

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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

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