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Merck
CN

82118

Propylbenzene

analytical standard

Synonym(s):

1-Phenylpropane

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About This Item

Linear Formula:
C6H5CH2CH2CH3
CAS Number:
103-65-1
Molecular Weight:
120.19
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329769237
EC Number:
203-132-9
Beilstein/REAXYS Number:
1903006
MDL number:
MFCD00009377

Key Documents

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Product Name

Propylbenzene, analytical standard

InChI key

ODLMAHJVESYWTB-UHFFFAOYSA-N

InChI

1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

SMILES string

CCCc1ccccc1

grade

analytical standard

vapor density

4.14 (vs air)

vapor pressure

2 mmHg ( 20 °C)

assay

≥99.0% (GC)

autoignition temp.

842 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

6 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.491 (lit.)
n20/D 1.492

bp

159 °C (lit.)

mp

−99 °C (lit.)

density

0.862 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

Quality Level

100

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Application

Propylbenzene may be used as an internal standard for the quantification of the vanillin in fruits and as an analytical reference standard for the quantification of the analyte in eluates of pyrolysis solid residues using different chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Propylbenzene belongs to the class of aromatic hydrocarbons, commonly used as a solvent in organic synthesis and precursor to synthesize intermediates such as 4-phenylbutyraldehyde and ethyl phenyl ketone.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Asp. Tox. 1 - Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

107.6 °F - closed cup

flash_point_c

42.0 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN1478
BCCL1750
BCCK4710
BCCK1436
BCCH6166

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Determination of aromatic compounds in eluates of pyrolysis solid residues using HS-GC-MS and DLLME-GC-MS
Bernardo.SM, et al.
Talanta, 80(1), 104-108 (2009)
Determination of vanillin in orange, grapefruit, tangerine, lemon, and lime juices using GC- olfactometry and GC- MS/MS
Goodner.LK, et al.
Journal of Agricultural and Food Chemistry, 48(7), 2882-2886 (2000)
Matthew Giardina et al.
Analytical chemistry, 75(7), 1604-1614 (2003-04-23)
With increasing interest in the detection of disease-related volatile organic compounds (VOCs) found in human breath, breath analysis could prove to be a very useful diagnostic tool, especially for the early detection of lung cancer. Solid-phase microextraction (SPME) is a
R Andrew Shalliker et al.
Journal of chromatography. A, 1216(5), 787-793 (2008-12-20)
The effect of solvent viscosity mismatch on elution performance in reversed-phase HPLC was studied using moment analysis. Two conditions were tested: (1) the mobile phase viscosity was less than the injection plug viscosity, and (2) the mobile phase viscosity was
Sara Eriksson et al.
Biodegradation, 16(3), 253-263 (2005-05-04)
The metabolism of monoaromatic hydrocarbons by an iron-reducing bacterial enrichment culture originating from diesel-contaminated groundwater was examined using d7-propylbenzene as a model hydrocarbon. Sequence analysis of the 16S rDNA gene showed that the dominant part (10 of 10 clones) of
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