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

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

Signal Word

Warning

Hazard Statements

H410

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

203.0 °F - closed cup

Flash Point(C)

95 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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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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