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Merck

82118

Propylbenzene

analytical standard

Sinónimos:

1-Phenylpropane

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Fórmula lineal:
C6H5CH2CH2CH3
Número CAS:
Peso molecular:
120.19
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
203-132-9
Beilstein/REAXYS Number:
1903006
MDL number:
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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

Quality Level

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

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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.

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.

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

Clase de almacenamiento

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


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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)
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)
J Schuberth
Journal of chromatographic science, 34(7), 314-319 (1996-07-01)
The full evaporation technique (FET), which is a variant of headspace analysis used to overcome matrix effects, was combined with capillary gas chromatography (GC) and ion-trap detection (ITD). The aim was to enable quantitative tests of volatile organic compounds (VOCs)
M J Huertas et al.
Applied and environmental microbiology, 64(1), 38-42 (1998-01-22)
We assayed the tolerance to solvents of three toluene-degrading Pseudomonas putida strains and Pseudomonas mendocina KR1 in liquid and soil systems. P. putida DOT-T1 tolerated concentrations of heptane, propylbenzene, octanol, and toluene of at least 10% (vol/vol), while P. putida
W L Backes et al.
Xenobiotica; the fate of foreign compounds in biological systems, 23(12), 1353-1366 (1993-12-01)
1. Treatment of male rat with the small aromatic hydrocarbons, benzene, toluene, ethylbenzene, n-propylbenzene, m-xylene, and p-xylene increased several P450-dependent activities, with ethylbenzene, m-xylene, and n-propylbenzene producing the greatest response. Hydrocarbon treatment differentially affected toluene metabolism, producing a response dependent

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